data_2e5h_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 2e5h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' THR . 62.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.994 0.426 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 41' ' ' ILE . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 40' ' ' THR . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.51 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG22 ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' HG22 ' A' ' 56' ' ' ILE . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.981 0.42 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 64' ' ' ALA . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 41' ' ' ILE . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.463 ' N ' HG22 ' A' ' 40' ' ' THR . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.407 ' C ' HD11 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 82' ' ' LYS . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 81' ' ' ILE . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.445 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ILE . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 40' ' ' THR . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.553 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 HD13 ' CD2' ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 59' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 41' ' ' ILE . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' MET . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 53' ' ' VAL . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 51' ' ' LYS . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 37' ' ' VAL . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 79' ' ' ARG . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CD2' HG11 ' A' ' 36' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.435 ' CD1' HD11 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.502 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.525 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 18' ' ' PRO . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CG ' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' TYR . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 56' ' ' ILE . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 41' ' ' ILE . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 40' ' ' THR . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.527 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 30' ' ' PHE . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' N ' HD21 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CG ' HG12 ' A' ' 14' ' ' VAL . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.535 ' CD2' HG13 ' A' ' 36' ' ' VAL . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 56' ' ' ILE . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 27' ' ' TYR . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' N ' HG11 ' A' ' 36' ' ' VAL . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 41' ' ' ILE . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG21 ' A' ' 40' ' ' THR . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.544 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' C ' HD22 ' A' ' 57' ' ' LEU . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 12' ' ' VAL . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 76' ' ' LEU . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 64' ' ' ALA . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 27' ' ' TYR . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 56' ' ' ILE . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 41' ' ' ILE . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.457 ' N ' HG21 ' A' ' 40' ' ' THR . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.5 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 76' ' ' LEU . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.576 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.556 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' ILE . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 40' ' ' THR . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 56' ' ' ILE . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 81' ' ' ILE . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.972 0.415 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.453 ' CD1' HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.484 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.455 ' N ' HG13 ' A' ' 36' ' ' VAL . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ILE . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 40' ' ' THR . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 53' ' ' VAL . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 51' ' ' LYS . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.557 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 57' ' ' LEU . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 77' ' ' PHE . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' N ' HG13 ' A' ' 36' ' ' VAL . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 41' ' ' ILE . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 40' ' ' THR . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.485 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.473 ' CE2' HD13 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 HG11 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.956 0.407 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 41' ' ' ILE . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 40' ' ' THR . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.533 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 81' ' ' ILE . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.006 0.431 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 37' ' ' VAL . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' N ' HG13 ' A' ' 36' ' ' VAL . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 41' ' ' ILE . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' N ' HG21 ' A' ' 40' ' ' THR . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 53' ' ' VAL . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' CG ' ' A' ' 42' ' ' MET . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.5 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG23 ' CE1' ' A' ' 58' ' ' PHE . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' THR . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 56' ' ' ILE . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 59' ' ' LEU . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 41' ' ' ILE . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 40' ' ' THR . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.556 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE1' ' HE1' ' A' ' 42' ' ' MET . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 12' ' ' VAL . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 37' ' ' VAL . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 68' ' ' THR . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.574 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 37' ' ' VAL . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.416 ' N ' HG11 ' A' ' 36' ' ' VAL . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 41' ' ' ILE . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 ' N ' HG22 ' A' ' 40' ' ' THR . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 41' ' ' ILE . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 57' ' ' LEU . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 56' ' ' ILE . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' CD1' HD12 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HD12 ' CD1' ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 41' ' ' ILE . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 40' ' ' THR . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' CD ' HD11 ' A' ' 85' ' ' ILE . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.408 HD11 ' CD ' ' A' ' 65' ' ' GLN . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' THR . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CD1' HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 59' ' ' LEU . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 41' ' ' ILE . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' N ' HG21 ' A' ' 40' ' ' THR . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.443 ' N ' HG22 ' A' ' 41' ' ' ILE . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 56' ' ' ILE . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 37' ' ' VAL . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 58' ' ' PHE . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.578 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 41' ' ' ILE . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 40' ' ' THR . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 71' ' ' ILE . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CD2' HG13 ' A' ' 56' ' ' ILE . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 41' ' ' ILE . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 40' ' ' THR . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.542 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 58' ' ' PHE . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 41' ' ' ILE . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 ' N ' HG21 ' A' ' 40' ' ' THR . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' ' HE1' ' A' ' 42' ' ' MET . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 12' ' ' VAL . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.2 t30 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.4 m -102.57 114.05 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.2 m -67.42 -49.7 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' -2' ' ' SER . . . 122.5 -55.72 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' -3' ' ' GLY . 60.2 p 34.47 41.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.2 t -53.5 -44.38 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 52.05 -123.65 21.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp 53.39 38.59 28.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 38.99 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.32 177.11 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.13 7.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -46.02 159.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' N ' ' CD2' ' A' ' 5' ' ' LEU . . . -152.23 160.26 31.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.079 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . 54.0 Cg_endo -69.76 4.21 2.32 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.357 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -33.8 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -34.99 -56.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' LYS . 62.8 p -34.08 -63.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 41' ' ' ILE . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 40' ' ' THR . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.51 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG22 ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' HG22 ' A' ' 56' ' ' ILE . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.45 91.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.3 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -107.71 -51.05 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 t -64.09 81.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 106.98 109.96 3.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.5 m -128.65 -51.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.1 t -52.98 -53.69 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 59.21 -160.72 15.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -156.92 130.92 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -93.82 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.0 -59.31 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 132.92 47.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -102.77 125.28 49.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 74.47 49.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.76 102.06 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.2 p -89.65 174.46 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -69.83 -54.8 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p -40.21 -48.55 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 64' ' ' ALA . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 41' ' ' ILE . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.463 ' N ' HG22 ' A' ' 40' ' ' THR . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' C ' HD11 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 82' ' ' LYS . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 81' ' ' ILE . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.33 106.46 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 ' N ' HD11 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.2 t -127.42 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.1 p -170.18 135.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -135.14 133.85 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.8 t -84.38 121.66 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 t -130.06 105.53 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.11 71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp -147.09 145.61 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -83.83 119.52 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.83 -52.78 20.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.15 115.61 1.91 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.37 4.95 46.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.934 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' N ' HD11 ' A' ' 5' ' ' LEU . . . -106.18 92.35 6.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.074 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.29 63.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LYS . 98.5 p -143.69 162.45 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 tppt? -35.96 -64.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.445 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ILE . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 40' ' ' THR . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.553 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 HD13 ' CD2' ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.07 101.93 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.1 p 48.13 42.42 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.7 p -94.07 153.88 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.57 -158.86 29.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.23 23.84 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -173.91 106.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -61.92 -94.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -113.74 172.22 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -170.38 168.71 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.36 -73.0 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.65 -154.51 16.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.8 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 49.57 46.17 3.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.2 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -120.75 174.54 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 61' ' ' LYS . 7.5 tptm -57.92 -54.74 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -49.61 -50.94 40.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 59' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 41' ' ' ILE . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' MET . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 53' ' ' VAL . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 51' ' ' LYS . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 37' ' ' VAL . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.07 104.57 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 29.4 t -162.13 110.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -104.81 84.44 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 97.41 -146.43 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.427 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.9 t -89.46 124.2 34.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.4 m -129.14 37.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.423 ' C ' ' HG2' ' A' ' 1' ' ' MET . . . 79.79 132.42 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HG2' ' C ' ' A' ' 0' ' ' GLY . 16.5 ptt? 40.36 35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' MET . 11.5 m -36.43 -44.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.44 164.01 22.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.59 -165.07 6.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' C ' ' CD ' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -123.3 -23.78 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -116.8 54.82 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.9 Cg_endo -69.66 134.6 28.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 171.14 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -65.04 -63.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m -60.4 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 79' ' ' ARG . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CD2' HG11 ' A' ' 36' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 ' CD1' HD11 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.502 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.525 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 18' ' ' PRO . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.31 110.07 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.4 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 7.6 t -39.6 130.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 31.0 t -73.48 -52.78 12.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -49.15 99.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.1 t -156.87 157.93 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 150.96 113.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp -111.59 -47.41 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -71.65 -41.84 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.16 50.29 7.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.86 80.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -170.83 164.04 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.36 134.27 3.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 111.07 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.86 36.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.754 2.302 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -156.73 153.04 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -61.13 -46.61 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p -46.42 -41.53 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CG ' HG11 ' A' ' 14' ' ' VAL . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' TYR . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 56' ' ' ILE . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 41' ' ' ILE . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 40' ' ' THR . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.527 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 30' ' ' PHE . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' N ' HD21 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 102.46 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.3 p -127.47 155.97 42.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -110.85 42.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 67.28 105.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.0 m -68.06 151.03 47.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.0 p -69.79 167.64 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 147.21 -141.56 9.47 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt -129.63 86.75 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.35 166.62 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.51 46.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.48 110.46 20.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.41 124.71 56.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . 54.0 Cg_endo -69.75 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -34.04 150.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.4 ttmm -32.99 -49.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -33.79 -57.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CG ' HG12 ' A' ' 14' ' ' VAL . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.535 ' CD2' HG13 ' A' ' 36' ' ' VAL . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 56' ' ' ILE . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 27' ' ' TYR . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' N ' HG11 ' A' ' 36' ' ' VAL . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 41' ' ' ILE . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG21 ' A' ' 40' ' ' THR . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.544 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' C ' HD22 ' A' ' 57' ' ' LEU . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 12' ' ' VAL . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 76' ' ' LEU . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.42 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 13' ' ' TYR . . . -85.29 122.13 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.6 p -154.65 175.9 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.6 t -113.8 147.13 38.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.29 59.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -69.03 102.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 t -90.42 -48.53 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 63.05 105.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.12 85.14 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p 51.1 30.62 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.66 52.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.88 164.06 39.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 6' ' ' ALA . 1.8 pt? -93.09 121.59 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . 31.82 53.23 0.79 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.0 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -156.73 157.7 35.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.5 -50.34 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m -56.32 -50.5 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 64' ' ' ALA . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 27' ' ' TYR . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 56' ' ' ILE . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 41' ' ' ILE . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.457 ' N ' HG21 ' A' ' 40' ' ' THR . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.5 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 76' ' ' LEU . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.63 90.15 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.9 p -111.3 -46.87 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.6 m 55.26 52.05 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -80.41 127.48 7.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 56.7 m -38.85 128.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.8 t -80.27 104.33 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.81 68.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmm -84.4 148.24 26.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -118.85 111.96 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.47 161.98 25.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.84 84.1 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.96 168.21 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -143.52 132.9 11.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.71 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -125.03 170.47 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -51.88 -46.84 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -45.93 -39.9 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.576 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.556 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 41' ' ' ILE . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' N ' HG22 ' A' ' 40' ' ' THR . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 56' ' ' ILE . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 81' ' ' ILE . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.34 108.74 19.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.3 t -159.4 131.86 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.0 p -122.27 139.94 53.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -163.11 76.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 p -42.79 107.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.5 t -136.12 115.52 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -125.05 -120.65 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptp -83.61 -48.18 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -150.74 176.83 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.04 -125.24 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.58 92.51 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.45 143.15 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.45 142.58 45.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -179.68 3.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.7 p -172.42 169.14 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -58.27 -43.44 87.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m -52.9 -55.81 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.453 ' CD1' HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.484 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.455 ' N ' HG13 ' A' ' 36' ' ' VAL . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 41' ' ' ILE . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 40' ' ' THR . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 53' ' ' VAL . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 51' ' ' LYS . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.555 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.557 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 57' ' ' LEU . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.59 95.56 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.0 t -84.0 42.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 7.2 t 41.64 41.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.18 56.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.3 m -91.45 -44.94 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.6 m -101.69 112.98 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 110.04 54.63 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -163.55 151.44 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.78 -134.26 5.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.7 -140.84 19.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.79 164.88 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 66.04 54.24 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.541 0.686 . . . . 0.0 111.072 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.75 4.91 1.91 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.0 p -71.31 152.4 43.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' CE ' HG23 ' A' ' 87' ' ' ILE . 27.2 mmtp -55.37 -58.33 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' LYS . 18.6 p -32.98 -54.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 77' ' ' PHE . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' N ' HG13 ' A' ' 36' ' ' VAL . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 41' ' ' ILE . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 40' ' ' THR . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.485 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.473 ' CE2' HD13 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 HG11 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' PRO . . . -64.83 108.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.457 HG23 ' CE ' ' A' ' 9' ' ' LYS . 2.8 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.8 p -165.34 116.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 4.4 m -91.77 132.88 36.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.41 103.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 22.3 t -92.47 -42.86 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 90.0 p -153.32 141.55 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.8 137.61 15.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm -78.08 110.59 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.326 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -42.19 134.84 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.62 105.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.1 -99.83 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.86 -176.51 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.17 129.65 40.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.7 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 130.82 19.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.232 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -132.84 160.11 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.75 -52.29 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p -41.09 -43.95 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.558 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 41' ' ' ILE . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 40' ' ' THR . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.533 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 81' ' ' ILE . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.78 114.77 27.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.0 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -100.27 135.58 41.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.1 m -78.72 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 139.27 -175.82 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.2 m -143.98 119.26 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.8 m -164.16 165.88 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 1' ' ' MET . . . 179.25 93.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 0' ' ' GLY . 13.7 ptm 35.33 43.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -105.03 77.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.67 70.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.98 108.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -101.45 -64.37 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -123.83 43.33 0.8 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.1 Cg_endo -69.77 142.23 47.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.377 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 1.4 t -157.12 168.35 27.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' ' CG2' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -46.06 -54.86 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -41.84 -38.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 37' ' ' VAL . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' N ' HG13 ' A' ' 36' ' ' VAL . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 41' ' ' ILE . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' N ' HG21 ' A' ' 40' ' ' THR . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.469 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 53' ' ' VAL . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' CG ' ' A' ' 42' ' ' MET . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.5 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' CG2' ' HA ' ' A' ' 9' ' ' LYS . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.12 56.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.2 t 55.67 41.48 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.26 -52.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.39 84.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.52 127.41 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.0 p -97.16 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.72 -156.99 28.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -58.49 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -61.63 168.02 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.08 123.98 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.84 171.38 1.87 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 tp -124.41 158.28 33.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 72.38 53.29 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.78 83.75 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p -114.98 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -57.24 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -40.77 -55.52 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG23 ' CE1' ' A' ' 58' ' ' PHE . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' THR . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 56' ' ' ILE . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 59' ' ' LEU . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 41' ' ' ILE . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 40' ' ' THR . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.556 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE1' ' HE1' ' A' ' 42' ' ' MET . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 12' ' ' VAL . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 37' ' ' VAL . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 85' ' ' ILE . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 68' ' ' THR . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.4 97.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 p -118.16 -46.3 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.4 p -85.45 138.77 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.58 152.71 22.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.6 p -79.76 -5.64 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.6 t -158.8 133.09 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 116.81 116.2 2.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -75.5 -51.24 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -55.72 132.99 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.3 -96.8 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.81 -144.16 3.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' C ' HD22 ' A' ' 5' ' ' LEU . 5.0 tt -98.64 -54.1 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.13 132.12 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 130.54 19.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.21 164.37 15.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' CD ' ' HE2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -57.5 -46.98 83.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -41.95 -50.37 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.574 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 37' ' ' VAL . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.416 ' N ' HG11 ' A' ' 36' ' ' VAL . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 41' ' ' ILE . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' N ' HG22 ' A' ' 40' ' ' THR . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.445 ' N ' HG22 ' A' ' 41' ' ' ILE . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 57' ' ' LEU . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CE1' HG21 ' A' ' 56' ' ' ILE . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 9' ' ' LYS . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.92 112.12 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.59 145.17 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 77.5 p -61.15 146.26 48.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.81 142.12 16.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.1 m -92.4 43.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.3 p -44.91 -51.44 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 68.16 -166.72 44.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp -172.83 155.51 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -102.55 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.58 -154.85 23.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.11 -165.13 46.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 6' ' ' ALA . 4.5 tt -53.58 139.67 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' HD23 ' A' ' 5' ' ' LEU . . . -105.69 122.51 42.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 175.69 7.73 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -157.85 156.41 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -30.19 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -69.64 -53.58 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' CD1' HD12 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HD12 ' CD1' ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 41' ' ' ILE . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 40' ' ' THR . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' CD ' HD11 ' A' ' 85' ' ' ILE . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.436 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.408 HD11 ' CD ' ' A' ' 65' ' ' GLN . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.51 108.27 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.7 p -134.83 135.18 41.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.0 m -128.97 88.4 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.51 55.39 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.6 m -110.74 42.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 t -41.9 130.84 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -115.52 -80.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt -77.51 128.59 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.47 139.34 19.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.56 62.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -155.49 16.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.2 tp -158.17 160.86 37.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.472 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 53.83 52.38 9.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 111.08 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.2 Cg_endo -69.79 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -127.55 151.28 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -56.83 -51.68 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p -51.59 -46.41 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' THR . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CD1' HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 59' ' ' LEU . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 41' ' ' ILE . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' N ' HG21 ' A' ' 40' ' ' THR . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.443 ' N ' HG22 ' A' ' 41' ' ' ILE . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 56' ' ' ILE . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 37' ' ' VAL . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.6 94.02 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.403 ' C ' HD12 ' A' ' 87' ' ' ILE . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 21.4 m -108.66 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.7 m -44.77 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 58.1 -166.82 6.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -154.86 171.18 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.1 m -86.81 -59.78 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.0 138.07 5.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -61.25 -51.83 67.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -140.08 149.02 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.29 110.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.66 124.61 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -125.69 155.99 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 73.81 54.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.5 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.4 m -35.55 135.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 16.3 ttmt -48.16 -57.61 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LYS . 86.1 p -34.26 -55.13 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 58' ' ' PHE . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.459 ' CD2' HG11 ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CD1' HD12 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.578 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 41' ' ' ILE . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 40' ' ' THR . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CE1' HG21 ' A' ' 12' ' ' VAL . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 71' ' ' ILE . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.77 123.08 23.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.7 m -80.29 90.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.5 t -70.72 -54.51 11.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.93 104.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.2 p -106.78 159.97 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -117.88 -56.17 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.03 179.64 31.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 155.98 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' GLY . 12.8 t -101.99 83.03 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -36.76 122.8 0.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.73 -136.54 5.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.65 123.58 19.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.33 109.84 2.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.121 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.83 48.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 53.4 m -148.72 -178.23 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HD2' ' CE ' ' A' ' 61' ' ' LYS . 31.1 mttp -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -47.01 17.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' CD2' HG13 ' A' ' 56' ' ' ILE . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 41' ' ' ILE . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 40' ' ' THR . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.542 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.78 63.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.48 ' N ' HD11 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.02 172.04 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.8 p -100.5 97.58 8.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -94.35 128.55 9.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -56.82 177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m -110.48 106.59 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -129.85 -41.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mtt -121.65 115.47 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -85.63 -46.92 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.96 -140.56 15.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -142.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.86 147.06 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 63.59 51.34 1.29 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.0 Cg_endo -69.81 123.24 9.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -163.22 175.5 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' SER . 19.2 ttmt -45.77 -55.29 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' LYS . 26.8 p -34.39 -57.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 58' ' ' PHE . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 41' ' ' ILE . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' N ' HG21 ' A' ' 40' ' ' THR . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' ' 55' ' ' PHE . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' ' HE1' ' A' ' 42' ' ' MET . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 12' ' ' VAL . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.2 t30 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.03 86.13 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' THR . 62.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.994 0.426 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 HD13 ' A' ' 81' ' ' ILE . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 83' ' ' ALA . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.458 ' ND2' ' OD1' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' C ' HD12 ' A' ' 76' ' ' LEU . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 75' ' ' GLN . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.67 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.981 0.42 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 81' ' ' ILE . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 54' ' ' ALA . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 29' ' ' ILE . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG21 HD12 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.484 ' HG3' HG12 ' A' ' 53' ' ' VAL . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG12 ' HG3' ' A' ' 42' ' ' MET . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.478 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' C ' HD12 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' ' 75' ' ' GLN . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 15' ' ' SER . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' ILE . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.722 HD23 HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 HD11 ' A' ' 29' ' ' ILE . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD22 ' HE2' ' A' ' 30' ' ' PHE . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 21' ' ' LEU . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 26' ' ' LEU . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 57' ' ' LEU . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 57' ' ' LEU . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HG2' HG22 ' A' ' 80' ' ' VAL . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 75' ' ' GLN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.722 HD13 HD23 ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 30' ' ' PHE . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 81' ' ' ILE . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 17.8 t-20 -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 29' ' ' ILE . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 26' ' ' LEU . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 57' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 42' ' ' MET . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.458 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' ILE . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 29' ' ' ILE . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.543 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CD1' HD13 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.439 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.522 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HG2' HE22 ' A' ' 65' ' ' GLN . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.694 HE22 ' HG2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 76' ' ' LEU . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' VAL . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 81' ' ' ILE . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 29' ' ' ILE . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 5.3 p-10 -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HE2' ' A' ' 30' ' ' PHE . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 21' ' ' LEU . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 26' ' ' LEU . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.444 ' N ' HD23 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 83' ' ' ALA . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.76 ' C ' HD12 ' A' ' 76' ' ' LEU . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.787 HD13 HD23 ' A' ' 17' ' ' LEU . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.544 HG21 ' HD2' ' A' ' 55' ' ' PHE . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.917 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 81' ' ' ILE . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 29' ' ' ILE . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.456 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 ' HE2' ' A' ' 30' ' ' PHE . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 21' ' ' LEU . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HE2' HD22 ' A' ' 26' ' ' LEU . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 57' ' ' LEU . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 37' ' ' VAL . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 40' ' ' THR . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 39' ' ' VAL . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 53' ' ' VAL . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.595 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' HD2' HG21 ' A' ' 11' ' ' THR . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 72' ' ' ASN . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.448 ' HG2' HG22 ' A' ' 80' ' ' VAL . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 75' ' ' GLN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.735 HD13 HD23 ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.917 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD23 HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HE2' ' A' ' 30' ' ' PHE . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' HE2' HD22 ' A' ' 26' ' ' LEU . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.447 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 57' ' ' LEU . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.664 HD13 HD23 ' A' ' 17' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' HZ ' ' A' ' 30' ' ' PHE . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 30' ' ' PHE . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HZ ' HG11 ' A' ' 14' ' ' VAL . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.506 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 58' ' ' PHE . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' N ' HD23 ' A' ' 57' ' ' LEU . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.472 ' C ' HD12 ' A' ' 76' ' ' LEU . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 15' ' ' SER . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 65' ' ' GLN . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.972 0.415 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 38' ' ' LYS . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.601 ' HG3' HG12 ' A' ' 37' ' ' VAL . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' HD23 ' A' ' 57' ' ' LEU . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 81' ' ' ILE . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 54' ' ' ALA . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 37' ' ' VAL . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.426 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.726 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.956 0.407 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 12' ' ' VAL . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 11' ' ' THR . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 81' ' ' ILE . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.61 HD23 HD13 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.572 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.527 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.61 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.61 HD13 HD23 ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB2' ' CG1' ' A' ' 71' ' ' ILE . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.006 0.431 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 54' ' ' ALA . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.437 HD22 ' HE2' ' A' ' 30' ' ' PHE . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.581 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 81' ' ' ILE . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' MET . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.453 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.603 ' N ' HD23 ' A' ' 57' ' ' LEU . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 83' ' ' ALA . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 15' ' ' SER . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' VAL . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' THR . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 17' ' ' LEU . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD13 HD11 ' A' ' 29' ' ' ILE . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 30' ' ' PHE . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.486 HD11 HD13 ' A' ' 21' ' ' LEU . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 26' ' ' LEU . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 38' ' ' LYS . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HG3' HG12 ' A' ' 37' ' ' VAL . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' VAL . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.609 ' C ' HD12 ' A' ' 76' ' ' LEU . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.628 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 12' ' ' VAL . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 11' ' ' THR . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD23 HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HD13 ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.646 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 30' ' ' PHE . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 54' ' ' ALA . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 29' ' ' ILE . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 14' ' ' VAL . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 36' ' ' VAL . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.845 ' HB2' HD13 ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.478 ' CG ' HG12 ' A' ' 53' ' ' VAL . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 42' ' ' MET . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' CZ ' ' A' ' 30' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.845 HD13 ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' HD12 ' A' ' 76' ' ' LEU . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.574 ' C ' HD12 ' A' ' 76' ' ' LEU . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 13' ' ' TYR . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 54' ' ' ALA . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 38' ' ' LYS . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HG3' HG12 ' A' ' 37' ' ' VAL . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 40' ' ' THR . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 42' ' ' MET . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 42' ' ' MET . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.65 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' C ' HD12 ' A' ' 76' ' ' LEU . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 17' ' ' LEU . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.567 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HD13 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 29' ' ' ILE . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 30' ' ' PHE . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HD22 ' A' ' 26' ' ' LEU . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CB ' ' HB2' ' A' ' 67' ' ' CYS . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HG3' HG12 ' A' ' 37' ' ' VAL . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 37' ' ' VAL . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 83' ' ' ALA . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.578 ' HG2' HG22 ' A' ' 80' ' ' VAL . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' HG2' ' A' ' 75' ' ' GLN . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.738 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 71' ' ' ILE . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' HB1' ' A' ' 64' ' ' ALA . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' HB ' HD11 ' A' ' 17' ' ' LEU . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 81' ' ' ILE . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 29' ' ' ILE . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 38' ' ' LYS . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 37' ' ' VAL . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' A' ' 83' ' ' ALA . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 5.9 t-20 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HG2' HG22 ' A' ' 80' ' ' VAL . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 75' ' ' GLN . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.545 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.4 m -102.57 114.05 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.2 m -67.42 -49.7 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' -2' ' ' SER . . . 122.5 -55.72 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' -3' ' ' GLY . 60.2 p 34.47 41.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.2 t -53.5 -44.38 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 52.05 -123.65 21.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp 53.39 38.59 28.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 38.99 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.32 177.11 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.13 7.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -46.02 159.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.829 ' N ' HD22 ' A' ' 5' ' ' LEU . . . -152.23 160.26 31.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.079 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 54.0 Cg_endo -69.76 4.21 2.32 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.357 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -33.8 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -34.99 -56.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' LYS . 62.8 p -34.08 -63.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 HD13 ' A' ' 81' ' ' ILE . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 83' ' ' ALA . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' ND2' ' OD1' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.458 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' C ' HD12 ' A' ' 76' ' ' LEU . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 75' ' ' GLN . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.67 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.406 HG22 HG23 ' A' ' 87' ' ' ILE . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.45 91.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 85' ' ' ILE . 14.3 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -107.71 -51.05 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 t -64.09 81.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 106.98 109.96 3.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.5 m -128.65 -51.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.1 t -52.98 -53.69 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 59.21 -160.72 15.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -156.92 130.92 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -93.82 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.0 -59.31 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 132.92 47.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -102.77 125.28 49.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.694 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 74.47 49.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.76 102.06 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.2 p -89.65 174.46 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -69.83 -54.8 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p -40.21 -48.55 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 81' ' ' ILE . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 54' ' ' ALA . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 29' ' ' ILE . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG21 HD12 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.484 ' HG3' HG12 ' A' ' 53' ' ' VAL . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG12 ' HG3' ' A' ' 42' ' ' MET . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.478 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' C ' HD12 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' ' 75' ' ' GLN . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 15' ' ' SER . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 87' ' ' ILE . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.33 106.46 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.742 HG23 HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.2 t -127.42 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.1 p -170.18 135.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -135.14 133.85 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.8 t -84.38 121.66 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 t -130.06 105.53 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.11 71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp -147.09 145.61 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -83.83 119.52 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.83 -52.78 20.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.15 115.61 1.91 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.871 ' O ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.37 4.95 46.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.934 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' N ' HD13 ' A' ' 5' ' ' LEU . . . -106.18 92.35 6.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.074 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.29 63.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LYS . 98.5 p -143.69 162.45 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 tppt? -35.96 -64.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' ILE . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.722 HD23 HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 HD11 ' A' ' 29' ' ' ILE . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD22 ' HE2' ' A' ' 30' ' ' PHE . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 21' ' ' LEU . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 26' ' ' LEU . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 57' ' ' LEU . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 57' ' ' LEU . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HG2' HG22 ' A' ' 80' ' ' VAL . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 75' ' ' GLN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.722 HD13 HD23 ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.07 101.93 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.1 p 48.13 42.42 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.7 p -94.07 153.88 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.57 -158.86 29.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.23 23.84 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -173.91 106.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -61.92 -94.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -113.74 172.22 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -170.38 168.71 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.36 -73.0 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' C ' HD22 ' A' ' 5' ' ' LEU . . . 121.65 -154.51 16.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 4' ' ' GLY . 4.2 mm? -115.8 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 49.57 46.17 3.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.2 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -120.75 174.54 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' CG ' ' HG3' ' A' ' 61' ' ' LYS . 7.5 tptm -57.92 -54.74 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -49.61 -50.94 40.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 30' ' ' PHE . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 81' ' ' ILE . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 17.8 t-20 -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 29' ' ' ILE . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 26' ' ' LEU . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 57' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 42' ' ' MET . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.458 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 HG23 ' A' ' 87' ' ' ILE . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.07 104.57 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 29.4 t -162.13 110.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -104.81 84.44 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 97.41 -146.43 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.427 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.9 t -89.46 124.2 34.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.4 m -129.14 37.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.436 ' C ' ' HG2' ' A' ' 1' ' ' MET . . . 79.79 132.42 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HG2' ' C ' ' A' ' 0' ' ' GLY . 16.5 ptt? 40.36 35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' MET . 11.5 m -36.43 -44.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.44 164.01 22.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.59 -165.07 6.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -123.3 -23.78 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -116.8 54.82 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.66 134.6 28.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 171.14 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -65.04 -63.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m -60.4 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' ILE . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 29' ' ' ILE . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.543 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CD1' HD13 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.439 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.522 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HG2' HE22 ' A' ' 65' ' ' GLN . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.694 HE22 ' HG2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 76' ' ' LEU . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.547 HG22 HG23 ' A' ' 87' ' ' ILE . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 55' ' ' PHE . . . -70.31 110.07 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 85' ' ' ILE . 6.4 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 7.6 t -39.6 130.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 31.0 t -73.48 -52.78 12.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -49.15 99.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.1 t -156.87 157.93 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 150.96 113.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp -111.59 -47.41 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -71.65 -41.84 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.16 50.29 7.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.86 80.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -170.83 164.04 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.36 134.27 3.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 111.07 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.86 36.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.754 2.302 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -156.73 153.04 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -61.13 -46.61 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p -46.42 -41.53 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' VAL . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 81' ' ' ILE . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 29' ' ' ILE . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 5.3 p-10 -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HE2' ' A' ' 30' ' ' PHE . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 21' ' ' LEU . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 26' ' ' LEU . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.444 ' N ' HD23 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 83' ' ' ALA . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.76 ' C ' HD12 ' A' ' 76' ' ' LEU . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.787 HD13 HD23 ' A' ' 17' ' ' LEU . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 102.46 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.3 p -127.47 155.97 42.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -110.85 42.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 67.28 105.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.0 m -68.06 151.03 47.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.0 p -69.79 167.64 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 147.21 -141.56 9.47 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt -129.63 86.75 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.35 166.62 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.51 46.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.48 110.46 20.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.41 124.71 56.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . 54.0 Cg_endo -69.75 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -34.04 150.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.4 ttmm -32.99 -49.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -33.79 -57.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.544 HG21 ' HD2' ' A' ' 55' ' ' PHE . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.917 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 81' ' ' ILE . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 29' ' ' ILE . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.456 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 ' HE2' ' A' ' 30' ' ' PHE . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 21' ' ' LEU . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HE2' HD22 ' A' ' 26' ' ' LEU . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 57' ' ' LEU . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 37' ' ' VAL . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 40' ' ' THR . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 39' ' ' VAL . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 53' ' ' VAL . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.595 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' HD2' HG21 ' A' ' 11' ' ' THR . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 72' ' ' ASN . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' HG2' HG22 ' A' ' 80' ' ' VAL . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 75' ' ' GLN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.735 HD13 HD23 ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.443 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.917 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -85.29 122.13 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.6 p -154.65 175.9 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.6 t -113.8 147.13 38.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.29 59.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -69.03 102.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 t -90.42 -48.53 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 63.05 105.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.12 85.14 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p 51.1 30.62 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.66 52.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.88 164.06 39.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 6' ' ' ALA . 1.8 pt? -93.09 121.59 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . 31.82 53.23 0.79 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.0 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -156.73 157.7 35.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.5 -50.34 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m -56.32 -50.5 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD23 HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HE2' ' A' ' 30' ' ' PHE . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' HE2' HD22 ' A' ' 26' ' ' LEU . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.447 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 57' ' ' LEU . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.664 HD13 HD23 ' A' ' 17' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -111.63 90.15 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 87' ' ' ILE . 2.4 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.9 p -111.3 -46.87 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.6 m 55.26 52.05 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -80.41 127.48 7.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 56.7 m -38.85 128.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.8 t -80.27 104.33 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.81 68.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmm -84.4 148.24 26.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -118.85 111.96 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.47 161.98 25.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.84 84.1 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.656 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.96 168.21 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' N ' HD22 ' A' ' 5' ' ' LEU . . . -143.52 132.9 11.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.71 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -125.03 170.47 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -51.88 -46.84 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -45.93 -39.9 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' HZ ' ' A' ' 30' ' ' PHE . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 30' ' ' PHE . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HZ ' HG11 ' A' ' 14' ' ' VAL . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 58' ' ' PHE . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' N ' HD23 ' A' ' 57' ' ' LEU . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.472 ' C ' HD12 ' A' ' 76' ' ' LEU . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 15' ' ' SER . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.531 HG22 HG23 ' A' ' 87' ' ' ILE . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.34 108.74 19.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.531 HG23 HG22 ' A' ' 85' ' ' ILE . 6.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.3 t -159.4 131.86 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.0 p -122.27 139.94 53.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -163.11 76.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 p -42.79 107.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.5 t -136.12 115.52 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -125.05 -120.65 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptp -83.61 -48.18 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -150.74 176.83 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.04 -125.24 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.58 92.51 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' C ' HD23 ' A' ' 5' ' ' LEU . 3.4 tt -77.45 143.15 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.45 142.58 45.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -179.68 3.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.7 p -172.42 169.14 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -58.27 -43.44 87.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m -52.9 -55.81 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 38' ' ' LYS . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' HG3' HG12 ' A' ' 37' ' ' VAL . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' HD23 ' A' ' 57' ' ' LEU . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -104.59 95.56 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.483 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.0 t -84.0 42.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 7.2 t 41.64 41.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.18 56.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.3 m -91.45 -44.94 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.6 m -101.69 112.98 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 110.04 54.63 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -163.55 151.44 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.78 -134.26 5.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.7 -140.84 19.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.79 164.88 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 66.04 54.24 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.541 0.686 . . . . 0.0 111.072 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.75 4.91 1.91 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.0 p -71.31 152.4 43.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HE2' HG21 ' A' ' 87' ' ' ILE . 27.2 mmtp -55.37 -58.33 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' LYS . 18.6 p -32.98 -54.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.417 ' OG1' ' HB1' ' A' ' 6' ' ' ALA . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 81' ' ' ILE . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 54' ' ' ALA . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 37' ' ' VAL . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.426 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.726 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' PRO . . . -64.83 108.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.8 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.8 p -165.34 116.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 4.4 m -91.77 132.88 36.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.41 103.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 22.3 t -92.47 -42.86 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 90.0 p -153.32 141.55 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.8 137.61 15.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm -78.08 110.59 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.326 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -42.19 134.84 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.62 105.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.1 -99.83 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.86 -176.51 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.17 129.65 40.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.7 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 130.82 19.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.232 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -132.84 160.11 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.75 -52.29 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p -41.09 -43.95 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 12' ' ' VAL . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 11' ' ' THR . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 81' ' ' ILE . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.61 HD23 HD13 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.572 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.527 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.61 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.61 HD13 HD23 ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB2' ' CG1' ' A' ' 71' ' ' ILE . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 HG23 ' A' ' 87' ' ' ILE . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.78 114.77 27.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 85' ' ' ILE . 10.0 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -100.27 135.58 41.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.1 m -78.72 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 139.27 -175.82 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.2 m -143.98 119.26 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.8 m -164.16 165.88 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 1' ' ' MET . . . 179.25 93.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 0' ' ' GLY . 13.7 ptm 35.33 43.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -105.03 77.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.67 70.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' HD23 ' A' ' 5' ' ' LEU . . . -124.98 108.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -101.45 -64.37 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -123.83 43.33 0.8 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.1 Cg_endo -69.77 142.23 47.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.377 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.417 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 1.4 t -157.12 168.35 27.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -46.06 -54.86 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -41.84 -38.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 54' ' ' ALA . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD22 ' HE2' ' A' ' 30' ' ' PHE . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.581 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' CG2' ' HA ' ' A' ' 9' ' ' LYS . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.12 56.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' H ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.2 t 55.67 41.48 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.26 -52.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.39 84.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.52 127.41 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.0 p -97.16 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.72 -156.99 28.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -58.49 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -61.63 168.02 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.08 123.98 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.84 171.38 1.87 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 6.2 tp -124.41 158.28 33.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 72.38 53.29 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.78 83.75 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p -114.98 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -57.24 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -40.77 -55.52 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 81' ' ' ILE . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' MET . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.453 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.603 ' N ' HD23 ' A' ' 57' ' ' LEU . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 83' ' ' ALA . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 15' ' ' SER . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.789 HG22 HG23 ' A' ' 87' ' ' ILE . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -65.4 97.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.789 HG23 HG22 ' A' ' 85' ' ' ILE . 2.9 pp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 p -118.16 -46.3 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.4 p -85.45 138.77 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.58 152.71 22.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.6 p -79.76 -5.64 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.6 t -158.8 133.09 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 116.81 116.2 2.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -75.5 -51.24 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -55.72 132.99 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.3 -96.8 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.81 -144.16 3.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -98.64 -54.1 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.13 132.12 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 130.54 19.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.21 164.37 15.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -57.5 -46.98 83.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -41.95 -50.37 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' VAL . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' THR . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 17' ' ' LEU . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD13 HD11 ' A' ' 29' ' ' ILE . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 30' ' ' PHE . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.486 HD11 HD13 ' A' ' 21' ' ' LEU . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 26' ' ' LEU . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 38' ' ' LYS . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HG3' HG12 ' A' ' 37' ' ' VAL . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' VAL . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 9' ' ' LYS . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.609 ' C ' HD12 ' A' ' 76' ' ' LEU . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.446 HG22 HG23 ' A' ' 87' ' ' ILE . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -87.92 112.12 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 9' ' ' LYS . 42.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.59 145.17 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 77.5 p -61.15 146.26 48.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.81 142.12 16.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.1 m -92.4 43.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.3 p -44.91 -51.44 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 68.16 -166.72 44.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp -172.83 155.51 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -102.55 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.58 -154.85 23.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.11 -165.13 46.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.671 ' C ' HD23 ' A' ' 5' ' ' LEU . 4.5 tt -53.58 139.67 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 5' ' ' LEU . . . -105.69 122.51 42.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 175.69 7.73 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -157.85 156.41 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -30.19 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -69.64 -53.58 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 12' ' ' VAL . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 11' ' ' THR . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD23 HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HD13 ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 HG21 HD13 ' A' ' 5' ' ' LEU . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.51 108.27 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.7 p -134.83 135.18 41.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.0 m -128.97 88.4 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.51 55.39 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.6 m -110.74 42.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 t -41.9 130.84 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -115.52 -80.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt -77.51 128.59 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.47 139.34 19.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.56 62.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -155.49 16.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.2 tp -158.17 160.86 37.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.472 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 53.83 52.38 9.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 111.08 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.2 Cg_endo -69.79 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -127.55 151.28 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 87' ' ' ILE . 12.6 ttpt -56.83 -51.68 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p -51.59 -46.41 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.646 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 30' ' ' PHE . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 54' ' ' ALA . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 29' ' ' ILE . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 14' ' ' VAL . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 36' ' ' VAL . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.845 ' HB2' HD13 ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.478 ' CG ' HG12 ' A' ' 53' ' ' VAL . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 42' ' ' MET . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' CZ ' ' A' ' 30' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.845 HD13 ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' HD12 ' A' ' 76' ' ' LEU . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.574 ' C ' HD12 ' A' ' 76' ' ' LEU . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 13' ' ' TYR . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 87' ' ' ILE . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.6 94.02 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 85' ' ' ILE . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 21.4 m -108.66 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.7 m -44.77 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 58.1 -166.82 6.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -154.86 171.18 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.1 m -86.81 -59.78 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.0 138.07 5.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -61.25 -51.83 67.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -140.08 149.02 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.29 110.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.66 124.61 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 6' ' ' ALA . 1.3 tt -125.69 155.99 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 5' ' ' LEU . . . 73.81 54.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.5 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.4 m -35.55 135.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 16.3 ttmt -48.16 -57.61 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LYS . 86.1 p -34.26 -55.13 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 54' ' ' ALA . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 38' ' ' LYS . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HG3' HG12 ' A' ' 37' ' ' VAL . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 40' ' ' THR . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 42' ' ' MET . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 42' ' ' MET . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.65 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' C ' HD12 ' A' ' 76' ' ' LEU . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 17' ' ' LEU . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' ILE . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -73.77 123.08 23.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.425 HG23 HG22 ' A' ' 85' ' ' ILE . 11.4 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.7 m -80.29 90.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.5 t -70.72 -54.51 11.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.93 104.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.2 p -106.78 159.97 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -117.88 -56.17 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.03 179.64 31.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 155.98 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' GLY . 12.8 t -101.99 83.03 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -36.76 122.8 0.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.73 -136.54 5.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 5' ' ' LEU . 9.2 tt -63.65 123.58 19.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . . . -59.33 109.84 2.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ALA . 53.7 Cg_endo -69.73 160.83 48.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 53.4 m -148.72 -178.23 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 61' ' ' LYS . 31.1 mttp -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -47.01 17.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.567 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HD13 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 29' ' ' ILE . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 30' ' ' PHE . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HD22 ' A' ' 26' ' ' LEU . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CB ' ' HB2' ' A' ' 67' ' ' CYS . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HG3' HG12 ' A' ' 37' ' ' VAL . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 37' ' ' VAL . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 83' ' ' ALA . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 t30 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.578 ' HG2' HG22 ' A' ' 80' ' ' VAL . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' HG2' ' A' ' 75' ' ' GLN . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.738 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 71' ' ' ILE . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -120.78 63.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.02 172.04 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.8 p -100.5 97.58 8.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -94.35 128.55 9.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -56.82 177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m -110.48 106.59 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -129.85 -41.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mtt -121.65 115.47 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -85.63 -46.92 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.96 -140.56 15.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -142.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.8 mm? -112.86 147.06 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 63.59 51.34 1.29 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.0 Cg_endo -69.81 123.24 9.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -163.22 175.5 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' SER . 19.2 ttmt -45.77 -55.29 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' LYS . 26.8 p -34.39 -57.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' HB1' ' A' ' 64' ' ' ALA . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' HB ' HD11 ' A' ' 17' ' ' LEU . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 81' ' ' ILE . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 29' ' ' ILE . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 38' ' ' LYS . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 37' ' ' VAL . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' A' ' 83' ' ' ALA . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 5.9 t-20 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HG2' HG22 ' A' ' 80' ' ' VAL . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 75' ' ' GLN . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.545 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -90.03 86.13 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' CD1' ' H ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' THR . 62.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.994 0.426 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 HD13 ' A' ' 81' ' ' ILE . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 83' ' ' ALA . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' C ' HD12 ' A' ' 76' ' ' LEU . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 75' ' ' GLN . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.67 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.981 0.42 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 81' ' ' ILE . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 54' ' ' ALA . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 29' ' ' ILE . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG21 HD12 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.484 ' HG3' HG12 ' A' ' 53' ' ' VAL . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG12 ' HG3' ' A' ' 42' ' ' MET . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.478 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' C ' HD12 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' ' 75' ' ' GLN . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 15' ' ' SER . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' ILE . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.722 HD23 HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 HD11 ' A' ' 29' ' ' ILE . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD22 ' HE2' ' A' ' 30' ' ' PHE . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 21' ' ' LEU . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 26' ' ' LEU . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 57' ' ' LEU . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 57' ' ' LEU . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HG2' HG22 ' A' ' 80' ' ' VAL . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 75' ' ' GLN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.722 HD13 HD23 ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 30' ' ' PHE . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 81' ' ' ILE . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 29' ' ' ILE . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 26' ' ' LEU . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 57' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 42' ' ' MET . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.458 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' ILE . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 29' ' ' ILE . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.543 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CD1' HD13 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.439 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.522 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 76' ' ' LEU . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 55' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' VAL . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 81' ' ' ILE . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 29' ' ' ILE . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HE2' ' A' ' 30' ' ' PHE . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 21' ' ' LEU . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 26' ' ' LEU . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.444 ' N ' HD23 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 83' ' ' ALA . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.76 ' C ' HD12 ' A' ' 76' ' ' LEU . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.787 HD13 HD23 ' A' ' 17' ' ' LEU . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.544 HG21 ' HD2' ' A' ' 55' ' ' PHE . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.917 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 81' ' ' ILE . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 29' ' ' ILE . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.456 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 ' HE2' ' A' ' 30' ' ' PHE . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 21' ' ' LEU . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HE2' HD22 ' A' ' 26' ' ' LEU . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 57' ' ' LEU . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 37' ' ' VAL . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 40' ' ' THR . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 39' ' ' VAL . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 53' ' ' VAL . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.595 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' HD2' HG21 ' A' ' 11' ' ' THR . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 72' ' ' ASN . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.448 ' HG2' HG22 ' A' ' 80' ' ' VAL . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 75' ' ' GLN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.735 HD13 HD23 ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.917 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD23 HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HE2' ' A' ' 30' ' ' PHE . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' HE2' HD22 ' A' ' 26' ' ' LEU . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.447 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 57' ' ' LEU . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.664 HD13 HD23 ' A' ' 17' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' HZ ' ' A' ' 30' ' ' PHE . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 30' ' ' PHE . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HZ ' HG11 ' A' ' 14' ' ' VAL . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.506 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 58' ' ' PHE . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' N ' HD23 ' A' ' 57' ' ' LEU . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.472 ' C ' HD12 ' A' ' 76' ' ' LEU . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 15' ' ' SER . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 65' ' ' GLN . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.972 0.415 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 38' ' ' LYS . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.601 ' HG3' HG12 ' A' ' 37' ' ' VAL . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' HD23 ' A' ' 57' ' ' LEU . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 81' ' ' ILE . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 54' ' ' ALA . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 37' ' ' VAL . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.426 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.726 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.956 0.407 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 12' ' ' VAL . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 11' ' ' THR . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 81' ' ' ILE . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.61 HD23 HD13 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.572 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.527 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.61 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.61 HD13 HD23 ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB2' ' CG1' ' A' ' 71' ' ' ILE . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.006 0.431 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 54' ' ' ALA . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.437 HD22 ' HE2' ' A' ' 30' ' ' PHE . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.581 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.927 0.394 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 81' ' ' ILE . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' MET . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.453 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.603 ' N ' HD23 ' A' ' 57' ' ' LEU . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 83' ' ' ALA . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 15' ' ' SER . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' VAL . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' THR . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 17' ' ' LEU . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD13 HD11 ' A' ' 29' ' ' ILE . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 30' ' ' PHE . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.486 HD11 HD13 ' A' ' 21' ' ' LEU . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 26' ' ' LEU . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 38' ' ' LYS . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HG3' HG12 ' A' ' 37' ' ' VAL . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' VAL . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.609 ' C ' HD12 ' A' ' 76' ' ' LEU . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.628 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 12' ' ' VAL . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 11' ' ' THR . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD23 HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HD13 ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.646 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 30' ' ' PHE . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 54' ' ' ALA . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 29' ' ' ILE . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 14' ' ' VAL . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 36' ' ' VAL . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.845 ' HB2' HD13 ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.478 ' CG ' HG12 ' A' ' 53' ' ' VAL . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 42' ' ' MET . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' CZ ' ' A' ' 30' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.845 HD13 ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' HD12 ' A' ' 76' ' ' LEU . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.574 ' C ' HD12 ' A' ' 76' ' ' LEU . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 13' ' ' TYR . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 54' ' ' ALA . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 38' ' ' LYS . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HG3' HG12 ' A' ' 37' ' ' VAL . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 40' ' ' THR . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 42' ' ' MET . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HG12 ' A' ' 53' ' ' VAL . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 42' ' ' MET . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.65 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' C ' HD12 ' A' ' 76' ' ' LEU . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 17' ' ' LEU . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.567 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HD13 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 29' ' ' ILE . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 30' ' ' PHE . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HD22 ' A' ' 26' ' ' LEU . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CB ' ' HB2' ' A' ' 67' ' ' CYS . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HG3' HG12 ' A' ' 37' ' ' VAL . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 37' ' ' VAL . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 83' ' ' ALA . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.578 ' HG2' HG22 ' A' ' 80' ' ' VAL . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' HG2' ' A' ' 75' ' ' GLN . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.738 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 71' ' ' ILE . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' HB1' ' A' ' 64' ' ' ALA . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' HB ' HD11 ' A' ' 17' ' ' LEU . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 81' ' ' ILE . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 29' ' ' ILE . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 38' ' ' LYS . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 37' ' ' VAL . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' A' ' 83' ' ' ALA . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.2 t30 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HG2' HG22 ' A' ' 80' ' ' VAL . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 75' ' ' GLN . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.545 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.4 m -102.57 114.05 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.2 m -67.42 -49.7 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' -2' ' ' SER . . . 122.5 -55.72 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' -3' ' ' GLY . 60.2 p 34.47 41.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.814 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.2 t -53.5 -44.38 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 52.05 -123.65 21.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp 53.39 38.59 28.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 38.99 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.32 177.11 1.21 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.13 7.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.889 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -46.02 159.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.911 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.829 ' N ' HD22 ' A' ' 5' ' ' LEU . . . -152.23 160.26 31.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.079 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 54.0 Cg_endo -69.76 4.21 2.32 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.357 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -33.8 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -34.99 -56.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' LYS . 62.8 p -34.08 -63.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' SER . 91.7 m -34.63 143.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 92.5 t -123.52 118.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -76.89 106.12 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.46 130.83 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 81' ' ' ILE . 4.1 p -125.25 167.75 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.32 33.27 14.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 HD13 ' A' ' 81' ' ' ILE . 33.5 mt -88.31 145.76 36.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.76 84.43 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -46.94 -27.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -45.16 -29.01 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 13.8 mt -79.54 -175.85 4.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.2 t -128.62 159.51 35.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 22' ' ' THR . 3.8 m120 -34.99 -50.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -53.0 -52.87 56.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 19.5 m-20 -47.15 -63.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -51.48 -52.63 44.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.5 t80 -40.04 -43.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' SER . 84.6 mtt-85 -81.31 -50.92 8.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -45.51 -35.72 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -91.32 -16.57 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ARG . 48.1 t -67.43 -13.43 62.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -68.82 -22.98 64.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.12 -54.11 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.14 163.43 28.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -65.65 135.3 54.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.3 t -106.98 138.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -103.11 -44.4 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -145.12 146.24 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -112.87 116.1 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -106.37 144.27 33.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -136.62 138.87 45.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.2 mmt -83.72 158.21 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -145.56 141.44 28.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.52 172.63 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -93.83 -51.9 4.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -74.63 -73.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -53.87 -41.71 67.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 68.86 45.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -127.26 163.18 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -68.39 -46.08 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt 68.12 25.02 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.71 -37.54 2.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -52.84 102.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -137.41 143.88 42.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.45 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 5.5 m-85 -107.96 126.53 52.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 50.2 mm -104.64 122.16 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.66 118.13 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 33.7 m-85 -100.76 172.43 7.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -86.58 -47.89 8.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.84 123.77 42.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -44.37 -48.4 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.49 -41.86 21.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -69.08 -39.27 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.92 -51.64 68.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -43.6 -56.16 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -41.84 -47.32 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -68.34 -42.77 78.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.3 m -62.47 -10.29 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.15 -19.14 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 -47.69 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 83' ' ' ALA . 19.5 pt -90.15 -26.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -52.3 132.51 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.4 m120 61.52 53.45 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -146.86 176.51 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' C ' HD12 ' A' ' 76' ' ' LEU . 18.0 mp0 -119.67 125.42 48.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.5 mp -131.94 150.45 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 58.0 m-85 41.19 27.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.32 43.92 44.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -165.72 120.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 75' ' ' GLN . 63.2 t -55.62 114.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.67 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -98.81 136.57 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.73 129.65 56.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.31 140.94 49.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -161.62 137.6 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.406 HG22 HG23 ' A' ' 87' ' ' ILE . 35.2 mm -61.88 111.95 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.45 91.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 85' ' ' ILE . 14.3 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -107.71 -51.05 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.1 t -64.09 81.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 106.98 109.96 3.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.5 m -128.65 -51.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.1 t -52.98 -53.69 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 59.21 -160.72 15.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -156.92 130.92 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -93.82 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.0 -59.31 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.75 132.92 47.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -102.77 125.28 49.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.694 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 74.47 49.76 0.22 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.127 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.76 102.06 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.2 p -89.65 174.46 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -69.83 -54.8 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.7 p -40.21 -48.55 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 62.8 m -52.44 140.23 22.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 85.7 t -120.35 112.78 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -68.71 98.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.7 t -113.72 126.7 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 81' ' ' ILE . 6.8 m -120.68 171.24 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.03 32.37 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 54' ' ' ALA . 42.3 mt -87.06 142.66 34.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.71 80.0 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.389 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -38.73 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' PRO . 31.2 t -39.51 -43.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 HD11 ' A' ' 29' ' ' ILE . 10.1 mt -68.91 -177.53 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -128.34 160.48 32.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' THR . 14.5 p-10 -34.17 -52.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -51.64 -53.44 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.6 m-20 -48.86 -62.7 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.7 mt -46.48 -50.62 16.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 5.3 t80 -45.78 -52.31 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.2 mtp180 -67.88 -57.46 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 21' ' ' LEU . 81.6 mt -39.39 -51.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' HG13 ' A' ' 56' ' ' ILE . 45.3 m-85 -73.47 -25.72 60.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 10.7 t -51.26 -35.17 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.5 pttt -47.51 -20.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 60.9 m-85 -102.01 -60.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.67 147.22 17.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -48.65 135.87 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.4 t -100.23 140.22 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG21 HD12 ' A' ' 59' ' ' LEU . 91.6 t -104.71 -43.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -150.44 142.34 23.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.78 138.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -126.52 140.36 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.1 mt -139.04 141.04 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.484 ' HG3' HG12 ' A' ' 53' ' ' VAL . 6.6 mmt -75.02 163.8 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -149.69 111.0 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -52.73 176.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -98.2 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.01 -71.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -66.22 -27.53 68.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 58.94 48.04 11.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -118.69 156.2 29.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -64.02 -37.84 88.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt 62.91 25.0 14.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.5 -34.43 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG12 ' HG3' ' A' ' 42' ' ' MET . 14.0 t -61.44 121.08 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -153.64 162.09 41.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 13' ' ' TYR . 1.8 m-85 -126.55 133.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CE1' ' A' ' 30' ' ' PHE . 39.9 mm -110.44 128.83 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -98.16 122.14 40.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -102.24 153.38 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 37' ' ' VAL . 17.6 tp -53.39 -56.69 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 32.4 t0 -118.4 134.24 55.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 9.4 ptpp? -44.55 -44.75 8.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 67.2 m-20 -40.02 -61.44 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -49.9 -50.65 45.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.05 -59.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.53 -51.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -51.76 -62.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -52.19 -42.08 63.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 m -53.68 -15.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -112.65 -25.9 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -70.31 -46.01 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 72' ' ' ASN . 28.4 pt -88.39 -31.44 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.478 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -50.42 139.37 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 56.18 45.25 23.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.79 151.86 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' C ' HD12 ' A' ' 76' ' ' LEU . 36.0 mt-30 -97.75 122.78 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -129.73 128.97 43.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 57.78 37.38 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 53.47 44.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -174.05 113.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' ' 75' ' ' GLN . 58.9 t -55.27 117.36 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 15' ' ' SER . 10.2 mt -99.95 138.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -111.52 129.73 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.66 130.78 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -152.65 141.33 20.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 87' ' ' ILE . 24.0 mm -63.69 119.96 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.33 106.46 15.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.079 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.742 HG23 HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.2 t -127.42 174.63 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.1 p -170.18 135.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -135.14 133.85 6.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.8 t -84.38 121.66 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 t -130.06 105.53 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.11 71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp -147.09 145.61 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -83.83 119.52 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.83 -52.78 20.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.15 115.61 1.91 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.871 ' O ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.37 4.95 46.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.934 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' N ' HD13 ' A' ' 5' ' ' LEU . . . -106.18 92.35 6.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.074 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.29 63.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LYS . 98.5 p -143.69 162.45 35.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 tppt? -35.96 -64.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.1 p -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -40.15 134.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.2 t -115.95 121.56 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.3 t80 -79.4 101.11 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.7 t -110.96 145.63 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 81' ' ' ILE . 38.6 m -140.38 172.81 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 62.37 25.07 14.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.722 HD23 HD13 ' A' ' 81' ' ' ILE . 41.5 mt -82.32 145.27 51.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -44.42 -30.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.07 -36.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD13 HD11 ' A' ' 29' ' ' ILE . 13.1 mt -73.13 179.74 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' ASN . 5.5 t -125.59 160.8 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p30 -36.26 -51.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 28.2 m120 -50.83 -54.32 24.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -50.61 -57.27 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD22 ' HE2' ' A' ' 30' ' ' PHE . 92.4 mt -51.12 -52.64 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 4.1 t80 -40.7 -56.29 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -67.93 -50.78 54.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.55 HD11 HD13 ' A' ' 21' ' ' LEU . 94.9 mt -44.22 -43.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HE2' HD22 ' A' ' 26' ' ' LEU . 67.3 m-85 -86.76 -16.44 36.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -64.63 -29.14 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 13.9 ptmt -51.27 -23.15 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 53.5 m-85 -102.92 -53.72 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.92 149.2 21.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.51 135.51 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 57' ' ' LEU . 96.3 t -101.79 135.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 57' ' ' LEU . 46.4 t -100.18 -31.87 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -158.35 144.78 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -106.79 151.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -146.08 140.06 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -130.96 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 55' ' ' PHE . 19.1 mmt -82.77 162.21 21.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -154.47 118.51 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.02 178.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -102.68 -40.47 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.61 -69.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -65.35 -29.73 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 59.35 47.1 11.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -122.88 155.27 37.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -66.15 -38.21 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 59.66 24.97 13.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.86 -37.78 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.5 t -52.37 112.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.09 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.67 147.05 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 3.9 m-85 -108.74 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.4 mm -114.14 125.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.5 tt -94.89 123.97 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.1 m-85 -106.39 156.72 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 tp -72.34 -40.99 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.4 t0 -125.92 139.73 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 ttpm? -63.59 -48.7 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.98 -27.15 2.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -84.98 -30.97 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.64 66.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -49.24 -53.88 19.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -47.22 -51.13 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 48.0 t -61.76 -37.42 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -63.86 -16.33 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.04 -20.13 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.0 -56.27 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.6 pt -79.0 -31.78 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -50.06 138.88 15.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 54.41 36.17 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 149.69 51.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HG2' HG22 ' A' ' 80' ' ' VAL . 22.1 mt-30 -99.39 112.1 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.59 143.93 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 54.12 26.1 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.11 42.64 83.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -165.81 109.54 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 75' ' ' GLN . 40.4 t -45.63 114.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.722 HD13 HD23 ' A' ' 17' ' ' LEU . 5.2 mt -99.55 131.1 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -103.95 134.97 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -126.25 137.41 53.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -159.58 132.16 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mm -54.46 128.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.07 101.93 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.1 p 48.13 42.42 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.7 p -94.07 153.88 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -98.57 -158.86 29.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.23 23.84 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -173.91 106.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -61.92 -94.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -113.74 172.22 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -170.38 168.71 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.36 -73.0 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' C ' HD22 ' A' ' 5' ' ' LEU . . . 121.65 -154.51 16.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 4' ' ' GLY . 4.2 mm? -115.8 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 49.57 46.17 3.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.2 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -120.75 174.54 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' CG ' ' HG3' ' A' ' 61' ' ' LYS . 7.5 tptm -57.92 -54.74 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -49.61 -50.94 40.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -40.76 148.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 60.6 t -129.94 117.48 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.18 103.39 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' A' ' 30' ' ' PHE . 7.5 t -115.15 129.29 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -122.54 -178.62 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.78 29.72 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 81' ' ' ILE . 40.7 mt -85.08 144.99 42.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.73 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -48.56 -25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -48.7 -26.31 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 15.6 mt -82.77 178.5 8.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 t -121.62 163.57 18.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 2.4 p30 -39.55 -52.56 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -50.5 -53.38 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -47.71 -64.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 29' ' ' ILE . 96.6 mt -47.42 -52.73 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 31.0 t80 -41.46 -56.61 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.8 mtp180 -63.93 -53.09 55.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 26' ' ' LEU . 58.2 mt -43.33 -48.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 70.9 m-85 -77.2 -17.2 58.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.4 t -66.93 -26.05 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -57.79 -15.54 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -108.28 -48.57 3.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.99 150.01 21.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -54.15 133.06 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 51.8 t -99.95 143.91 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' HB ' HD22 ' A' ' 57' ' ' LEU . 61.6 t -105.89 -41.36 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -151.95 150.0 29.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -115.04 127.73 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -120.55 144.74 47.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.2 mt -132.27 134.09 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 55' ' ' PHE . 16.6 mmt -80.31 164.92 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -153.18 153.35 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -82.55 -174.17 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.22 -30.25 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -98.75 -45.85 5.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -82.56 -29.63 30.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 56.82 51.28 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -133.31 152.43 51.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -54.05 -40.68 67.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt 62.32 25.0 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.32 -38.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 42' ' ' MET . 3.3 t -56.08 110.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.77 144.02 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 5.2 m-85 -104.02 136.22 44.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 43.6 mm -116.11 125.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.6 tt -96.88 120.28 36.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -103.09 155.82 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.08 -49.74 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -123.99 129.98 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -49.05 -47.7 44.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 1.8 t70 -45.31 -36.44 4.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -75.68 -38.33 58.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -59.94 -48.6 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -45.62 -52.52 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -43.85 -55.32 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.3 t -58.87 -41.76 87.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -63.02 -9.67 11.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -120.99 -3.0 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.55 -42.48 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -96.66 -24.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 126.22 20.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 64.63 49.07 2.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -141.45 151.72 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -97.91 109.33 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -119.43 152.04 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.458 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 60.0 m-85 42.78 25.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.36 44.46 51.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -167.08 110.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -44.62 104.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -91.28 134.36 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.94 145.09 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -135.22 139.2 44.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.1 m -161.21 145.58 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 HG23 ' A' ' 87' ' ' ILE . 9.9 mm -62.57 130.82 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.07 104.57 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 29.4 t -162.13 110.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -104.81 84.44 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 97.41 -146.43 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.427 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.9 t -89.46 124.2 34.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.822 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.4 m -129.14 37.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.436 ' C ' ' HG2' ' A' ' 1' ' ' MET . . . 79.79 132.42 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HG2' ' C ' ' A' ' 0' ' ' GLY . 16.5 ptt? 40.36 35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' MET . 11.5 m -36.43 -44.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.44 164.01 22.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.59 -165.07 6.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -123.3 -23.78 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -116.8 54.82 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.66 134.6 28.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 171.14 17.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -65.04 -63.21 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' THR . 1.6 m -60.4 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' SER . 18.8 m -36.27 132.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 94.3 t -114.54 120.22 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.69 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -76.82 103.85 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 30' ' ' PHE . 7.7 t -112.7 136.73 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' ILE . 14.7 p -125.37 170.27 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.4 31.15 17.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -83.91 142.95 42.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -41.05 -28.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -42.13 -34.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 29' ' ' ILE . 11.5 mt -76.48 -176.41 3.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 15.2 t -128.01 159.88 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 7.6 p-10 -35.93 -49.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -54.01 -49.35 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.46 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 mt -43.96 -48.95 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.543 ' HB2' HG21 ' A' ' 39' ' ' VAL . 2.7 t80 -48.65 -48.1 39.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . 69.9 mtm180 -74.15 -57.6 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CD1' HD13 ' A' ' 21' ' ' LEU . 69.0 mt -40.46 -56.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' HG13 ' A' ' 56' ' ' ILE . 27.8 m-85 -65.25 -22.63 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 28' ' ' ARG . 1.1 t -53.32 -20.11 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 22.6 pttt -61.44 -21.61 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 38.3 m-85 -99.76 -57.62 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.1 151.04 22.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -49.37 132.43 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.439 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 99.5 t -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.0 -46.29 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -140.06 149.0 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 27' ' ' TYR . 96.0 t -120.77 108.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.7 m -99.97 148.16 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.3 mt -141.95 139.43 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mmm -79.81 159.16 26.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.51 115.44 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.7 175.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -104.29 -44.84 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.83 -57.28 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.8 p -77.37 -26.42 51.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 56.47 46.12 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -126.96 161.75 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.8 t -69.65 -42.46 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 64.8 24.98 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.27 -31.01 2.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -61.78 107.6 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.08 160.87 39.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 32.3 m-85 -118.78 129.67 55.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.522 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.7 mm -110.16 115.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.84 121.69 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -101.11 155.02 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.72 -39.34 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -126.55 128.58 47.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -53.4 -48.4 68.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -37.62 13.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -69.66 -44.33 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -46.84 -57.22 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -42.92 -57.08 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -41.76 -44.21 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 32.5 t -72.08 -38.82 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.0 m -61.34 -8.62 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -116.82 -16.81 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.03 15.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 83' ' ' ALA . 17.1 pt -91.93 -26.05 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' N ' HG13 ' A' ' 71' ' ' ILE . 1.7 t30 -58.62 134.81 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.2 t30 57.64 49.28 12.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -147.49 152.15 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' HD12 ' A' ' 76' ' ' LEU . 71.5 mt-30 -95.5 120.48 35.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.1 mp -127.43 132.5 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 54.69 29.65 12.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.26 48.51 45.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -170.02 108.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -48.47 106.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.94 135.15 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -123.97 149.59 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 m -168.15 129.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.547 HG22 HG23 ' A' ' 87' ' ' ILE . 15.0 mm -52.53 116.3 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 55' ' ' PHE . . . -70.31 110.07 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.547 HG23 HG22 ' A' ' 85' ' ' ILE . 6.4 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 7.6 t -39.6 130.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.363 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 31.0 t -73.48 -52.78 12.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -94.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -49.15 99.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.1 t -156.87 157.93 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 150.96 113.35 0.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp -111.59 -47.41 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.325 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -71.65 -41.84 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.16 50.29 7.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.86 80.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -170.83 164.04 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.36 134.27 3.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 111.07 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.86 36.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.754 2.302 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -156.73 153.04 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -61.13 -46.61 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 p -46.42 -41.53 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' VAL . 9.0 m -62.57 159.15 16.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.0 t -138.84 111.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.676 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -68.79 104.98 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.3 t -117.98 118.03 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -114.29 -175.22 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 54.03 26.47 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 81' ' ' ILE . 48.6 mt -84.26 142.92 41.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 86.42 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -45.3 -26.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -46.07 -27.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 29' ' ' ILE . 27.1 mt -80.82 -176.57 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.4 t -129.55 156.67 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -35.37 -46.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.88 -51.28 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.23 -63.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD22 ' HE2' ' A' ' 30' ' ' PHE . 93.2 mt -47.64 -54.75 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.9 t80 -35.8 -52.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -73.95 -49.69 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 21' ' ' LEU . 96.5 mt -44.33 -41.99 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 26' ' ' LEU . 90.0 m-85 -87.45 -20.0 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -63.13 -25.28 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 8.2 ptpp? -57.8 -23.32 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 55.4 m-85 -100.19 -52.91 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.88 149.43 21.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -54.26 133.44 44.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.9 t -101.85 140.16 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.207 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.5 t -108.03 -36.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -150.62 152.74 34.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -120.63 119.48 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.175 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.5 m -110.47 140.02 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -132.82 139.04 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 mmt -79.69 161.65 25.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -154.59 112.87 3.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -49.62 178.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -108.21 -20.06 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.55 -69.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.3 p -70.79 -18.26 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 53.51 44.26 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -117.21 153.46 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.0 t -65.22 -38.63 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp 61.28 25.01 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.8 -38.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.8 t -51.55 109.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.84 141.75 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 6.5 m-85 -104.66 124.88 50.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.68 126.08 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.5 tt -96.3 127.19 42.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.444 ' N ' HD23 ' A' ' 57' ' ' LEU . 39.2 m-85 -110.71 158.42 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.83 -56.3 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 37.1 t0 -113.9 125.66 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -47.24 -43.42 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -44.54 -49.4 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -61.56 -55.76 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -38.46 -58.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' THR . 29.4 mm-40 -37.77 -69.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLN . 21.4 t30 -34.95 -53.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.3 t -56.79 -42.1 78.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' GLN . 3.6 m -64.84 -6.51 8.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -119.81 -10.14 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -89.54 -41.29 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 83' ' ' ALA . 20.5 pt -97.87 -23.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.32 131.26 49.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.25 40.08 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.49 153.95 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.76 ' C ' HD12 ' A' ' 76' ' ' LEU . 87.9 mt-30 -94.82 133.2 38.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.4 mp -142.77 133.6 25.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 54.36 25.06 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.93 44.1 38.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -164.92 110.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.26 108.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.787 HD13 HD23 ' A' ' 17' ' ' LEU . 4.9 mt -95.2 131.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -111.01 138.83 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -128.04 142.59 51.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 68.1 m -159.78 145.78 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.57 118.48 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 102.46 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.3 p -127.47 155.97 42.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.0 m -110.85 42.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 67.28 105.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.0 m -68.06 151.03 47.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.0 p -69.79 167.64 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 147.21 -141.56 9.47 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt -129.63 86.75 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -161.35 166.62 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.51 46.77 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.71 38.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.48 110.46 20.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.41 124.71 56.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 111.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . 54.0 Cg_endo -69.75 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.364 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' ' C ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -34.04 150.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 8' ' ' SER . 1.4 ttmm -32.99 -49.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -33.79 -57.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.544 HG21 ' HD2' ' A' ' 55' ' ' PHE . 88.7 m -44.87 145.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 58' ' ' PHE . 75.2 t -116.01 115.03 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.917 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.59 99.08 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 17' ' ' LEU . 9.0 t -112.36 144.52 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 171.0 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 80' ' ' VAL . 3.6 m120 63.62 25.21 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD23 HD13 ' A' ' 81' ' ' ILE . 36.4 mt -80.98 146.51 59.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -45.77 -26.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -47.58 -34.32 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 29' ' ' ILE . 15.5 mt -74.24 -177.67 3.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.5 t -128.06 160.31 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' THR . 1.1 m120 -35.87 -48.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -53.25 -49.1 67.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.456 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 45.2 m-20 -54.58 -59.38 4.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 ' HE2' ' A' ' 30' ' ' PHE . 89.2 mt -50.88 -49.17 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.29 -49.49 9.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -71.55 -51.98 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 21' ' ' LEU . 88.4 mt -46.52 -41.94 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HE2' HD22 ' A' ' 26' ' ' LEU . 71.4 m-85 -86.9 -13.3 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -71.34 -30.46 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -49.01 -22.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.1 m-85 -101.25 -58.69 1.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.12 148.28 19.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -51.87 137.03 27.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.88 143.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 57' ' ' LEU . 95.4 t -103.24 -38.8 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 37' ' ' VAL . 68.7 mttt -160.65 143.13 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 40' ' ' THR . 93.1 t -100.11 157.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 39' ' ' VAL . 24.7 m -149.68 145.26 26.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.24 140.28 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.4 mmt -80.23 159.95 25.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.43 111.46 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -50.56 177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.78 -65.06 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 p -67.87 -34.94 77.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 62.84 49.84 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -126.67 160.23 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.8 t -70.16 -39.5 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt 59.09 25.02 13.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.69 -34.7 2.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 53' ' ' VAL . 4.0 t -55.3 106.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.595 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -139.52 147.14 40.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' HD2' HG21 ' A' ' 11' ' ' THR . 3.4 m-85 -107.05 137.34 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 30' ' ' PHE . 41.7 mm -117.77 124.28 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 37' ' ' VAL . 5.2 tt -94.08 121.93 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 m-85 -103.05 177.76 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -92.25 -47.17 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 10.6 t0 -118.5 133.86 55.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 20.1 ttmt -48.02 -47.6 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -53.01 -44.48 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -57.53 -41.03 80.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.9 63.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -47.78 -50.15 26.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -48.72 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.562 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 53.5 t -53.01 -43.1 66.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.62 -12.21 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -113.31 -7.34 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.55 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 72' ' ' ASN . 40.8 pt -86.67 -30.54 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' N ' HG13 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -45.19 129.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 60.13 38.59 20.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -129.1 151.33 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' HG2' HG22 ' A' ' 80' ' ' VAL . 32.9 mt-30 -99.89 115.14 28.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.12 150.75 40.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 40.78 29.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.02 44.87 76.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -163.2 106.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 75' ' ' GLN . 59.4 t -43.19 108.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.735 HD13 HD23 ' A' ' 17' ' ' LEU . 5.4 mt -93.35 132.67 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -108.35 135.88 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.83 138.97 54.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.3 m -160.35 144.8 14.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.443 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 30.8 mm -62.12 112.97 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.917 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -85.29 122.13 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.6 p -154.65 175.9 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.6 t -113.8 147.13 38.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 117.29 59.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.9 m -69.03 102.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 t -90.42 -48.53 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 63.05 105.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.12 85.14 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p 51.1 30.62 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.18 48.66 52.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.88 164.06 39.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 6' ' ' ALA . 1.8 pt? -93.09 121.59 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . 31.82 53.23 0.79 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.0 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -156.73 157.7 35.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -51.5 -50.34 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' THR . 5.2 m -56.32 -50.5 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 98.1 m -37.53 137.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.51 118.83 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 1.6 t80 -77.55 103.81 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.39 126.43 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.1 t -121.1 -179.1 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.03 30.63 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD23 HD13 ' A' ' 81' ' ' ILE . 42.7 mt -88.59 143.71 32.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.0 Cg_endo -69.75 80.62 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -39.2 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PRO . 18.9 m -41.74 -38.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 12.0 mt -70.62 -174.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASN . 11.5 t -132.34 160.98 34.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 9.7 p30 -33.96 -52.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 24.4 t-20 -50.08 -54.44 20.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 30.4 m-20 -47.4 -62.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD22 ' HE2' ' A' ' 30' ' ' PHE . 87.0 mt -48.25 -58.67 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.6 t80 -34.23 -56.77 0.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' SER . 54.9 mtp85 -65.71 -57.75 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -39.54 -46.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' HE2' HD22 ' A' ' 26' ' ' LEU . 88.3 m-85 -80.38 -26.82 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ARG . 37.6 t -53.75 -36.48 62.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 7.0 ptpp? -44.85 -25.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 69.7 m-85 -100.43 -56.09 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.29 151.44 23.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -56.9 135.62 55.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -100.41 135.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.09 -42.94 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -144.77 132.43 21.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.0 t -101.43 99.0 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.2 m -89.54 137.25 32.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.9 mt -134.26 142.91 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.447 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 6.7 mmt -79.73 163.81 24.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -154.02 119.07 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.4 172.15 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 -35.95 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -78.66 -49.27 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.1 p -90.69 -36.95 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 70.57 41.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -124.8 165.97 17.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t -72.17 -34.61 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 59.9 25.01 14.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.21 -37.78 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.6 t -57.35 108.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.83 140.24 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 1.9 m-85 -103.98 122.86 46.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 30' ' ' PHE . 33.2 mm -101.79 123.42 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.2 tt -95.59 120.65 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 57' ' ' LEU . 66.4 m-85 -100.89 148.38 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.75 -53.01 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 7.4 t70 -115.93 168.4 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -76.45 -48.81 18.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.53 -56.75 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 p -47.07 -47.63 22.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -53.1 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.071 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' ALA . 28.2 mt-30 -34.32 -48.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.24 -56.82 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.04 -48.37 78.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 m -53.04 -15.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -110.27 -25.83 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.23 -51.29 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 72' ' ' ASN . 31.8 pt -80.46 -31.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t30 -48.26 141.05 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 61.24 29.48 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -133.52 145.36 50.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -100.73 131.25 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.57 131.0 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 61.81 32.44 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.86 54.46 11.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.3 ptm180 -173.85 113.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -54.55 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.664 HD13 HD23 ' A' ' 17' ' ' LEU . 5.1 mt -77.32 129.45 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -99.52 140.43 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -130.67 128.67 41.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.9 m -153.52 143.39 22.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.6 133.09 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -111.63 90.15 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 87' ' ' ILE . 2.4 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.9 p -111.3 -46.87 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.6 m 55.26 52.05 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.818 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -80.41 127.48 7.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 56.7 m -38.85 128.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 33.8 t -80.27 104.33 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.81 68.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmm -84.4 148.24 26.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -118.85 111.96 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.47 161.98 25.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.84 84.1 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.656 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.96 168.21 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' N ' HD22 ' A' ' 5' ' ' LEU . . . -143.52 132.9 11.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.71 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -125.03 170.47 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -51.88 -46.84 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -45.93 -39.9 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.5 m -71.16 152.36 43.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.555 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 93.1 t -125.89 118.88 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.99 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' HZ ' ' A' ' 30' ' ' PHE . 2.6 t -114.14 136.84 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.9 m -132.73 171.28 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.54 25.96 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -81.79 145.85 54.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.9 Cg_endo -69.78 83.08 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -45.01 -23.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -47.86 -27.68 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 12.8 mt -81.76 177.36 8.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -118.06 164.77 14.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -41.37 -50.18 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -52.5 -51.2 60.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.3 m-20 -46.8 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 30' ' ' PHE . 73.7 mt -43.9 -56.34 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 25.6 t80 -42.02 -55.6 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' SER . 72.8 mtt-85 -66.3 -59.94 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.5 mt -39.19 -56.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HZ ' HG11 ' A' ' 14' ' ' VAL . 55.3 m-85 -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.5 t -59.7 -13.11 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 10.1 pttt -69.45 -21.74 63.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 57.3 m-85 -101.23 -46.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.09 144.88 11.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -50.32 132.95 24.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 14.2 t -100.03 138.63 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.6 -38.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -149.29 146.8 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.6 t -114.13 151.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.1 m -144.05 145.58 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.1 mt -136.06 130.52 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.668 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.9 mmm -78.1 166.82 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -152.22 140.29 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.1 164.64 25.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -9.81 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -103.81 -64.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.6 p -84.09 -14.27 50.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 54.25 40.53 31.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -114.67 149.74 36.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.5 t -63.28 -39.73 95.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt 59.16 25.06 13.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.67 -37.49 2.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.3 t -48.11 97.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -133.57 152.26 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 3.1 m-85 -112.62 131.49 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 HG22 ' CE1' ' A' ' 58' ' ' PHE . 22.9 mm -111.74 128.64 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 58' ' ' PHE . 4.9 tt -104.05 128.12 51.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' N ' HD23 ' A' ' 57' ' ' LEU . 7.5 m-85 -110.64 156.53 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.69 -45.97 74.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 36.8 t0 -131.25 130.81 43.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 9.5 ptpp? -46.62 -43.58 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 1.2 m-20 -41.05 -42.24 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.9 p -74.34 -46.61 39.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -49.13 -50.84 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 68' ' ' THR . 68.2 mt-30 -49.37 -59.33 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -38.31 -56.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.09 -33.38 57.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' GLN . 2.0 m -68.46 -1.67 7.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -117.31 -20.16 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -80.24 -52.2 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 83' ' ' ALA . 15.5 pt -84.64 -35.86 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.6 t-20 -43.7 120.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 66.74 40.83 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -135.64 152.1 50.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.472 ' C ' HD12 ' A' ' 76' ' ' LEU . 47.6 mt-30 -96.59 121.3 38.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -128.57 138.66 52.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 51.41 33.65 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.71 41.2 97.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.45 111.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.31 117.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 15' ' ' SER . 5.7 mt -97.81 141.87 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -113.73 131.55 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -124.38 133.11 53.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -156.45 133.11 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.531 HG22 HG23 ' A' ' 87' ' ' ILE . 50.3 mm -56.1 124.41 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.34 108.74 19.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.531 HG23 HG22 ' A' ' 85' ' ' ILE . 6.8 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.3 t -159.4 131.86 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.0 p -122.27 139.94 53.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -163.11 76.19 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 71.1 p -42.79 107.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.5 t -136.12 115.52 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -125.05 -120.65 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptp -83.61 -48.18 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -150.74 176.83 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.04 -125.24 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.58 92.51 0.68 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 HD23 ' C ' ' A' ' 5' ' ' LEU . 3.4 tt -77.45 143.15 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -129.45 142.58 45.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -179.68 3.11 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.7 p -172.42 169.14 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -58.27 -43.44 87.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 m -52.9 -55.81 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -38.93 140.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.1 t -121.64 111.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -69.52 100.96 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.6 t -113.67 136.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.9 m -131.97 173.14 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.74 26.39 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 81' ' ' ILE . 45.6 mt -85.34 144.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.7 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.76 81.59 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -38.22 -31.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' PRO . 6.1 t -38.91 -39.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD13 HD11 ' A' ' 29' ' ' ILE . 16.9 mt -68.49 178.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -124.26 154.34 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' THR . 4.0 p30 -35.59 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -49.23 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' THR . 11.8 m-20 -53.43 -59.61 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 29' ' ' ILE . 73.5 mt -47.83 -53.31 15.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 14.3 t80 -38.94 -47.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -74.53 -49.62 21.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 21' ' ' LEU . 50.0 mt -47.3 -38.41 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' A' ' 56' ' ' ILE . 66.3 m-85 -90.79 -11.59 38.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -64.68 -36.05 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 33' ' ' TYR . 20.5 pttt -52.92 -16.45 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 51.7 m-85 -102.96 -55.7 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.67 155.96 26.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.24 135.97 56.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 98.9 t -104.21 142.48 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 38' ' ' LYS . 94.0 t -109.41 -46.86 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' HG3' HG12 ' A' ' 37' ' ' VAL . 75.5 mttt -143.9 140.4 29.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -105.89 112.74 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.6 m -104.32 139.06 39.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -133.1 142.3 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.8 mmt -84.79 172.16 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -148.1 146.83 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -81.73 175.47 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -94.5 -57.54 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.37 -72.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -59.94 -30.18 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.79 46.11 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -116.17 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.9 t -64.3 -29.04 70.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 58.1 25.02 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.57 -37.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -55.95 115.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.41 139.31 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.1 m-85 -102.29 125.68 49.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 30' ' ' PHE . 38.5 mm -105.37 120.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 58' ' ' PHE . 5.5 tt -93.38 124.04 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' HD23 ' A' ' 57' ' ' LEU . 50.5 m-85 -104.11 166.38 10.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.5 tp -84.8 -32.14 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASP . 4.1 t0 -129.1 117.7 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -47.39 -47.15 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -47.31 -49.82 23.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -59.51 -45.95 90.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -49.03 -58.56 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' THR . 77.4 mt-30 -36.98 -63.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' GLN . 11.9 t30 -35.91 -56.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.4 t -58.47 -37.25 75.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' GLN . 1.9 m -61.71 -10.42 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -113.62 -22.42 10.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.46 -54.52 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 83' ' ' ALA . 29.5 pt -80.05 -32.68 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' THR . 10.2 t30 -53.68 141.88 24.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 57.83 35.64 25.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 15.6 tptm -145.39 153.52 41.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 2.9 pt20 -106.25 133.01 51.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.3 mp -127.79 129.98 47.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 61.66 25.77 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.98 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ptp180 -175.03 118.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.39 96.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -77.9 135.89 25.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -115.61 134.3 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -119.88 144.99 47.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 67.1 m -166.82 126.55 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mm -47.64 122.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -104.59 95.56 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.483 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.0 t -84.0 42.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 7.2 t 41.64 41.9 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.18 56.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.3 m -91.45 -44.94 8.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.6 m -101.69 112.98 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 110.04 54.63 0.55 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt -59.28 -45.43 91.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -163.55 151.44 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.78 -134.26 5.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.7 -140.84 19.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -125.79 164.88 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 66.04 54.24 0.95 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.541 0.686 . . . . 0.0 111.072 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.75 4.91 1.91 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.36 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.0 p -71.31 152.4 43.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HE2' HG21 ' A' ' 87' ' ' ILE . 27.2 mmtp -55.37 -58.33 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' LYS . 18.6 p -32.98 -54.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.417 ' OG1' ' HB1' ' A' ' 6' ' ' ALA . 85.4 m -54.95 144.42 23.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . 54.4 t -125.27 112.15 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -68.93 102.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.9 t -110.65 128.92 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 81' ' ' ILE . 15.4 p -121.17 167.47 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 62.9 43.27 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 54' ' ' ALA . 37.5 mt -98.7 140.43 21.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 80.07 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -40.0 -27.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' PRO . 16.5 m -42.49 -37.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.3 mt -71.17 -175.18 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.0 t -127.82 156.65 42.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 22' ' ' THR . 34.5 m120 -34.34 -44.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -57.27 -52.37 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 9.8 m-20 -47.39 -64.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' TYR . 59.0 mt -45.41 -58.35 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 9.8 t80 -34.98 -49.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -71.51 -50.56 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -48.78 -31.56 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 56' ' ' ILE . 84.0 m-85 -96.79 -11.6 24.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 t -66.01 -40.96 91.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 4.9 pttm -47.65 -19.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.586 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 33.9 m-85 -102.06 -57.08 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.77 6.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -44.52 134.02 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 80.0 t -99.94 138.06 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.3 t -100.55 -45.61 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 37' ' ' VAL . 8.2 mtpm? -147.71 141.92 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.7 m -120.35 138.03 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.2 mt -132.88 138.52 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mmt -78.85 162.08 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -152.48 122.82 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.68 -178.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -10.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.34 -59.5 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 p -86.07 -18.72 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 56.01 46.36 21.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -120.16 151.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -61.59 -41.94 98.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp 63.87 25.02 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.06 -38.67 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 53' ' ' VAL . 2.9 t -52.72 109.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.3 145.96 33.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.465 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 3.0 m-85 -111.83 122.1 46.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 30' ' ' PHE . 46.8 mm -100.83 123.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.57 118.8 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -100.13 157.67 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.26 -51.4 67.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 11.4 t0 -120.71 136.75 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 11.4 ptmt -55.89 -30.57 61.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.01 -63.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 m -51.78 -45.57 63.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.5 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -39.23 -53.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -43.29 -55.67 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 36.1 t -60.3 -40.95 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.1 m -55.9 -13.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -111.93 -31.3 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.85 -48.08 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 83' ' ' ALA . 26.8 pt -86.22 -29.63 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 68' ' ' THR . 0.6 OUTLIER -55.6 126.98 27.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 36.6 t30 66.2 46.84 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.2 152.33 37.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' C ' HD12 ' A' ' 76' ' ' LEU . 92.6 mt-30 -95.82 118.26 32.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.9 mp -127.59 131.78 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 57.56 34.65 24.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 51.42 55.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 17' ' ' LEU . 5.3 ptm180 -174.12 117.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 82' ' ' LYS . 66.3 t -54.73 105.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.426 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.44 125.21 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 1.5 mppt? -105.98 128.5 53.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.726 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -118.1 143.98 46.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.6 p -159.64 138.3 10.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.28 107.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' PRO . . . -64.83 108.88 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.8 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 79.8 p -165.34 116.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 4.4 m -91.77 132.88 36.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 148.41 103.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 22.3 t -92.47 -42.86 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 90.0 p -153.32 141.55 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.8 137.61 15.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mmm -78.08 110.59 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.326 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -42.19 134.84 2.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.62 105.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.1 -99.83 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.86 -176.51 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.17 129.65 40.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.7 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 130.82 19.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.232 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.5 m -132.84 160.11 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -44.75 -52.29 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 p -41.09 -43.95 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 12' ' ' VAL . 17.9 m -62.74 155.85 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' N ' HG22 ' A' ' 11' ' ' THR . 47.5 t -132.16 118.13 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE2' ' HZ ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -74.52 103.99 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 17' ' ' LEU . 2.6 t -115.68 143.27 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 81' ' ' ILE . 74.6 m -139.84 172.08 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m120 64.11 25.02 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.61 HD23 HD13 ' A' ' 81' ' ' ILE . 35.3 mt -85.94 142.26 36.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.0 Cg_endo -69.72 89.07 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -46.76 -27.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -44.35 -36.16 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 18' ' ' PRO . 11.0 mt -72.81 178.12 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ASN . 12.1 t -123.38 159.51 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' THR . 89.2 m-20 -34.94 -48.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -52.99 -49.07 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.1 m-20 -52.62 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -45.72 -51.08 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 26.5 t80 -41.92 -51.25 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.97 -48.58 52.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.6 mt -49.7 -33.97 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -95.54 -8.1 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t -73.06 -24.36 60.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -61.99 -21.42 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.572 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 50.0 m-85 -101.2 -32.17 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.78 151.53 11.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.12 134.5 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 76.9 t -102.45 139.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -105.91 -39.53 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -147.1 151.56 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.94 118.38 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.7 m -106.33 144.82 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.3 135.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.614 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 4.1 mmm -76.5 165.31 24.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -158.47 121.33 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 46' ' ' ASP . 24.7 t70 -63.14 168.74 3.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.46 -45.05 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 5.2 m-20 -77.81 -72.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.8 p -60.74 -34.66 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? 65.61 48.79 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -127.76 157.54 40.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -70.81 -31.79 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt 57.33 25.0 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.31 -32.14 2.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -59.74 109.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -141.28 149.83 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 2.5 m-85 -113.4 135.53 53.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.527 HG13 ' CE2' ' A' ' 30' ' ' PHE . 19.3 mm -114.91 133.92 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.2 tt -104.62 121.83 44.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -101.55 146.22 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.46 -57.28 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 41.1 t0 -126.48 130.14 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.5 ptmm? -40.47 -39.07 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.7 t70 -45.69 -46.75 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 p -68.97 -41.52 77.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.58 -59.62 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.054 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' ALA . 7.9 mm100 -34.43 -59.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -42.99 -62.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.6 t -53.91 -38.34 64.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.5 -9.84 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -119.57 -19.95 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 33' ' ' TYR . . . -75.07 -45.94 38.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.61 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 10.5 pt -92.65 -24.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.7 t30 -54.63 117.17 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 67.58 45.74 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -142.15 142.14 32.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -83.15 118.7 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 6.9 mp -122.43 140.52 52.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 81.9 m-85 46.49 26.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.29 51.28 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 77' ' ' PHE . 1.6 ptt-85 -171.81 120.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.75 102.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.61 HD13 HD23 ' A' ' 17' ' ' LEU . 5.9 mt -91.4 136.1 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -108.15 140.03 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB2' ' CG1' ' A' ' 71' ' ' ILE . . . -129.52 143.72 50.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.5 p -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 HG23 ' A' ' 87' ' ' ILE . 24.7 mm -58.0 128.16 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.78 114.77 27.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 85' ' ' ILE . 10.0 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -100.27 135.58 41.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.1 m -78.72 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 139.27 -175.82 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 50.2 m -143.98 119.26 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.8 m -164.16 165.88 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 1' ' ' MET . . . 179.25 93.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 0' ' ' GLY . 13.7 ptm 35.33 43.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -105.03 77.52 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.67 70.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' HD23 ' A' ' 5' ' ' LEU . . . -124.98 108.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -101.45 -64.37 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -123.83 43.33 0.8 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 111.093 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 54.1 Cg_endo -69.77 142.23 47.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.377 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.417 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 1.4 t -157.12 168.35 27.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -46.06 -54.86 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -41.84 -38.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 m -68.68 149.84 48.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.91 120.9 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -77.9 98.65 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' HB ' HD11 ' A' ' 17' ' ' LEU . 2.8 t -106.98 118.58 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.6 p -116.19 171.3 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.07 31.3 15.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 54' ' ' ALA . 35.1 mt -86.84 140.88 33.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' C ' ' N ' ' A' ' 20' ' ' SER . 53.6 Cg_endo -69.78 87.12 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -44.33 -22.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 18' ' ' PRO . 81.1 p -48.54 -30.73 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 25' ' ' ASP . 14.8 mt -82.26 -177.47 6.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 t -129.75 163.57 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -38.2 -47.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 m-20 -50.34 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD22 ' HE2' ' A' ' 30' ' ' PHE . 81.6 mt -51.51 -51.23 56.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -42.91 -36.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -86.02 -43.68 12.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.98 -31.0 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 56' ' ' ILE . 74.4 m-85 -99.39 -6.24 28.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -76.09 -21.26 56.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -66.16 -23.03 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 67.6 m-85 -100.67 -49.5 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -154.13 142.64 9.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 133.26 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.2 t -101.58 133.58 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.46 -40.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -146.59 132.48 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.86 97.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.9 m -86.29 139.76 30.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.0 mt -133.46 128.69 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.87 164.49 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -150.35 141.05 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.45 170.73 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -44.11 12.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.45 -70.48 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -53.29 -35.67 60.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 60.44 41.75 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -116.72 161.24 19.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t -55.98 -33.72 65.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt 59.06 25.07 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.91 -37.09 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 53' ' ' VAL . 3.9 t -59.4 113.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 111.159 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -140.82 130.77 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.9 m-30 -98.61 122.2 41.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 30' ' ' PHE . 49.0 mm -103.91 125.96 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.6 tt -99.32 128.2 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.7 m-85 -109.26 154.0 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.76 -41.99 74.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.84 136.94 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -60.91 -47.06 88.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -46.28 -40.75 12.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 m -72.15 -39.36 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.96 -60.7 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.34 -58.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -40.9 -54.52 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 44.1 t -62.08 -35.59 79.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -68.75 -6.0 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -117.92 -26.81 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -71.14 -49.16 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' A' ' 83' ' ' ALA . 10.0 pt -86.56 -28.44 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.39 137.46 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 58.64 25.56 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 146.32 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.581 ' C ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.29 137.31 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -140.04 147.98 41.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 44.67 30.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 69.6 39.94 78.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -161.37 116.23 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.7 108.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -92.74 129.17 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.5 128.93 48.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -121.33 134.25 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 2.2 m -163.47 126.63 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' CG2' ' HA ' ' A' ' 9' ' ' LYS . 11.1 mm -38.08 148.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.12 56.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.421 ' H ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 4.2 t 55.67 41.48 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.26 -52.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -168.39 84.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.4 t -102.52 127.41 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.0 p -97.16 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -85.72 -156.99 28.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -58.49 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -61.63 168.02 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.08 123.98 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.84 171.38 1.87 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 6.2 tp -124.41 158.28 33.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 72.38 53.29 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.6 Cg_endo -69.78 83.75 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p -114.98 140.0 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -57.24 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -40.77 -55.52 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 m -52.86 148.64 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.2 t -124.89 114.72 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CE2' ' CZ ' ' A' ' 55' ' ' PHE . 1.4 t80 -75.54 100.59 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -107.79 144.6 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 81' ' ' ILE . 48.3 m -135.93 166.26 23.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.31 38.03 10.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 81' ' ' ILE . 42.9 mt -92.1 143.61 27.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 Cg_endo -69.7 80.06 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -40.42 -28.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' PRO . 54.8 m -40.99 -45.2 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 29' ' ' ILE . 11.1 mt -64.36 -174.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ASP . 11.6 t -129.62 156.77 43.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' THR . 15.0 m-20 -34.48 -44.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.45 -48.26 79.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 93.3 m-20 -55.65 -61.51 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.5 mt -46.45 -49.53 18.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 34.8 t80 -41.17 -54.57 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 82.5 mtm180 -69.42 -55.86 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.68 HD11 HD13 ' A' ' 21' ' ' LEU . 54.5 mt -37.96 -44.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 54.1 m-85 -82.59 -30.19 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' ARG . 26.3 t -52.35 -36.44 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 16.4 ptmt -43.39 -29.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 32' ' ' LYS . 48.9 m-85 -99.89 -61.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.5 143.42 14.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -53.26 131.46 37.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 88.5 t -99.94 136.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.5 t -107.42 -39.08 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -144.91 151.12 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.3 t -117.09 152.22 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.0 m -147.82 139.07 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 42' ' ' MET . 88.9 mt -132.3 143.48 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.453 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 27.3 mmt -82.3 169.86 16.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -159.55 124.99 4.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.08 176.92 2.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -104.24 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.16 -57.02 14.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.0 p -77.46 -41.79 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 72.69 49.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -131.96 156.12 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.6 t -65.54 -43.23 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt 66.52 24.97 10.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.47 -38.87 2.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 t -54.28 113.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.68 157.96 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.9 m-85 -115.76 129.61 56.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 30' ' ' PHE . 47.5 mm -111.7 136.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.3 tt -105.26 128.27 53.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.603 ' N ' HD23 ' A' ' 57' ' ' LEU . 20.1 m-85 -109.5 154.1 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.57 -51.43 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 61' ' ' LYS . 5.9 t70 -116.21 165.95 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' ASP . 11.6 ptmt -78.38 -35.73 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 16.4 t70 -60.67 -51.07 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -49.41 -45.56 46.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -52.39 -60.97 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' ALA . 74.8 mt-30 -33.68 -59.38 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -39.62 -65.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 -45.31 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.7 m -51.5 -16.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -112.74 -28.18 7.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.6 54.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD11 ' HB2' ' A' ' 83' ' ' ALA . 28.7 pt -84.58 -30.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 68' ' ' THR . 4.1 t-20 -57.58 132.54 53.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 62.05 42.24 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -143.63 155.67 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -99.4 118.76 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 6.8 mp -124.47 128.79 49.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 57.18 33.77 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.5 54.57 25.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 3.8 ptp180 -173.76 115.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.34 96.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 15' ' ' SER . 5.0 mt -76.88 136.56 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.74 121.12 43.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -113.82 152.04 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.119 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.7 p -167.75 135.2 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.789 HG22 HG23 ' A' ' 87' ' ' ILE . 29.8 mm -58.86 106.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -65.4 97.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.789 HG23 HG22 ' A' ' 85' ' ' ILE . 2.9 pp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 p -118.16 -46.3 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.4 p -85.45 138.77 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.58 152.71 22.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.6 p -79.76 -5.64 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.6 t -158.8 133.09 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 116.81 116.2 2.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -75.5 -51.24 13.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -55.72 132.99 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.3 -96.8 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.81 -144.16 3.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -98.64 -54.1 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.13 132.12 1.19 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 130.54 19.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.21 164.37 15.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -57.5 -46.98 83.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -41.95 -50.37 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 12' ' ' VAL . 89.8 m -42.59 157.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 11' ' ' THR . 63.5 t -135.48 108.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -68.74 108.1 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 17' ' ' LEU . 7.1 t -119.91 118.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.4 p -113.62 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.48 33.12 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 HD13 ' A' ' 81' ' ' ILE . 29.9 mt -89.7 143.04 29.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' SER . 54.2 Cg_endo -69.68 80.82 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -40.79 -27.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' PRO . 41.5 t -42.46 -31.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD13 HD11 ' A' ' 29' ' ' ILE . 14.2 mt -78.64 -179.14 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' ASN . 13.9 t -126.33 160.12 31.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.3 p30 -37.6 -44.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.46 -50.65 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 1.9 m-20 -50.91 -57.83 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 30' ' ' PHE . 90.7 mt -53.42 -53.38 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -39.41 -40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -82.1 -45.49 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.486 HD11 HD13 ' A' ' 21' ' ' LEU . 55.4 mt -55.56 -28.34 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HE2' HD22 ' A' ' 26' ' ' LEU . 74.6 m-85 -99.15 -8.13 25.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.6 t -76.57 -26.4 55.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -17.79 18.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 70.4 m-85 -105.25 -41.31 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.96 148.31 13.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -52.05 130.56 30.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -100.26 143.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.572 HG12 ' HG3' ' A' ' 38' ' ' LYS . 71.2 t -105.46 -45.54 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HG3' HG12 ' A' ' 37' ' ' VAL . 24.9 mttm -142.27 148.68 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -117.02 89.17 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.4 m -79.67 141.37 36.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.2 mt -136.88 135.15 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmt -76.76 154.87 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.34 129.58 18.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.18 -178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -101.36 -48.29 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -78.83 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.8 p -63.28 -34.7 78.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 58.46 46.99 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -126.69 166.93 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -67.38 -45.06 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 67.39 24.95 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.02 -39.85 1.85 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 53' ' ' VAL . 3.4 t -53.68 103.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.38 136.62 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 6.4 m-85 -103.59 114.58 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 30' ' ' PHE . 39.3 mm -95.45 124.58 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -97.38 121.09 38.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -101.35 154.78 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.49 -53.56 50.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -114.57 150.84 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 9' ' ' LYS . 10.5 ttmt -64.83 -47.38 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -51.98 -38.5 56.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.8 m -67.72 -39.92 84.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -63.82 -63.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' ALA . 33.1 mm-40 -35.38 -43.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -52.61 -61.27 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.1 t -58.96 -42.89 90.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 m -60.56 -9.43 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 3.3 tmt_? -113.6 -25.65 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.98 -59.05 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 pt -74.31 -33.08 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 60.83 46.97 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -139.05 153.62 48.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.609 ' C ' HD12 ' A' ' 76' ' ' LEU . 45.3 mt-30 -96.72 123.38 40.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.8 mp -131.68 142.72 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 47.28 25.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.86 38.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -165.06 109.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.2 t -48.76 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 HD13 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -97.57 133.15 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.47 130.66 53.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.33 136.79 52.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -160.09 128.49 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.446 HG22 HG23 ' A' ' 87' ' ' ILE . 18.8 mm -52.8 116.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -87.92 112.12 22.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 9' ' ' LYS . 42.3 pt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.4 p -144.59 145.17 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 77.5 p -61.15 146.26 48.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -90.81 142.12 16.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 36.1 m -92.4 43.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.843 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.3 p -44.91 -51.44 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 68.16 -166.72 44.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp -172.83 155.51 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -102.55 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.58 -154.85 23.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.11 -165.13 46.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD23 ' C ' ' A' ' 5' ' ' LEU . 4.5 tt -53.58 139.67 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' N ' HD23 ' A' ' 5' ' ' LEU . . . -105.69 122.51 42.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 175.69 7.73 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -157.85 156.41 31.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -30.19 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -69.64 -53.58 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 12' ' ' VAL . 19.4 m -45.89 155.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 11' ' ' THR . 46.9 t -131.91 116.4 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.5 t80 -74.73 102.46 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.2 t -117.3 113.83 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -110.46 -177.92 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD23 HD13 ' A' ' 81' ' ' ILE . 35.5 mt -85.5 144.45 40.3 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -41.69 -27.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -42.36 -32.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD13 HD11 ' A' ' 29' ' ' ILE . 14.4 mt -78.82 176.2 9.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -122.55 165.39 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -39.97 -50.85 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -53.04 -49.36 66.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -51.9 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.6 mt -45.5 -51.43 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 36' ' ' VAL . 34.1 t80 -41.24 -54.77 2.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 6.5 mtp-105 -68.27 -46.7 69.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.644 HD11 HD13 ' A' ' 21' ' ' LEU . 50.4 mt -50.15 -38.23 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 73.4 m-85 -93.41 -7.15 45.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -76.36 -8.59 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.66 -22.75 56.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CE1' ' CB ' ' A' ' 70' ' ' ALA . 69.0 m-85 -100.66 -45.06 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.0 160.51 30.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.66 131.97 47.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HB ' ' CE2' ' A' ' 27' ' ' TYR . 54.3 t -100.66 134.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.47 -35.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -150.48 150.02 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -119.53 108.57 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 HG21 HD13 ' A' ' 5' ' ' LEU . 89.8 m -100.36 143.44 30.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 92.3 mt -135.78 139.56 45.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.1 mmt -87.84 173.35 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -152.88 152.02 31.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.44 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -87.29 -7.67 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.57 -74.01 0.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p -63.62 -26.08 68.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 57.87 45.45 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' SER . 31.4 mmtm -119.97 147.55 44.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' LYS . 4.7 t -38.08 -38.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.33 25.01 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.81 -39.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 53' ' ' VAL . 2.8 t -58.68 112.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -138.39 136.99 36.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 8.1 m-85 -104.82 123.86 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 42.4 mm -107.68 134.65 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.9 tt -110.34 131.74 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.5 m-85 -112.52 149.31 32.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -48.17 -44.47 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -131.79 139.47 48.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -55.9 -35.85 67.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 11.2 t70 -50.37 -37.13 35.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -78.49 -35.68 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.15 50.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -44.94 -52.8 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.69 -61.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 42.9 t -54.31 -42.68 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -10.02 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -113.94 -23.46 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -74.49 -45.61 44.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 12.5 pt -88.4 -39.58 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -36.23 131.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.55 47.69 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 16.9 tptm -137.78 151.44 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -99.38 109.45 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.11 144.38 46.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 46.22 30.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.92 49.88 60.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -168.79 105.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.4 t -44.56 108.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 HD13 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -92.92 130.36 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -103.08 133.22 48.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -121.97 129.79 52.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 p -152.2 137.37 17.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.96 106.19 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.51 108.27 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 89.7 p -134.83 135.18 41.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.0 m -128.97 88.4 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.51 55.39 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.6 m -110.74 42.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.816 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.6 t -41.9 130.84 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -115.52 -80.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt -77.51 128.59 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.47 139.34 19.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.56 62.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -155.49 16.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.2 tp -158.17 160.86 37.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.472 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 53.83 52.38 9.57 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 111.08 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.2 Cg_endo -69.79 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -127.55 151.28 49.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' ' 87' ' ' ILE . 12.6 ttpt -56.83 -51.68 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 p -51.59 -46.41 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.3 m -51.34 134.19 28.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.646 ' CG2' ' HB1' ' A' ' 64' ' ' ALA . 97.7 t -114.55 119.22 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 55' ' ' PHE . 1.6 t80 -73.82 101.53 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 30' ' ' PHE . 5.5 t -109.6 127.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.9 p -119.24 169.11 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.97 37.53 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 54' ' ' ALA . 33.1 mt -92.03 142.5 26.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 80.13 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -39.79 -31.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.0 m -39.82 -40.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 29' ' ' ILE . 13.5 mt -69.51 -176.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 25' ' ' ASP . 10.7 t -130.14 159.32 37.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' THR . 26.4 p-10 -33.8 -50.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -51.61 -46.98 63.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 54.6 m-20 -56.21 -70.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 29' ' ' ILE . 89.4 mt -42.17 -50.05 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -39.18 -53.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' SER . 37.9 mtp180 -73.89 -51.98 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.642 HD11 HD13 ' A' ' 21' ' ' LEU . 68.1 mt -40.81 -37.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CE1' HG21 ' A' ' 14' ' ' VAL . 68.8 m-85 -92.65 -23.68 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ARG . 2.7 t -59.6 -35.85 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -23.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 52.8 m-85 -100.02 -60.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.86 146.37 17.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 36' ' ' VAL . 5.1 tmtt? -51.64 127.67 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 95.0 t -100.06 139.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.23 -42.67 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.845 ' HB2' HD13 ' A' ' 57' ' ' LEU . 2.3 mmpt? -141.06 143.54 34.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.83 103.9 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.5 m -96.59 144.08 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.15 138.7 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.478 ' CG ' HG12 ' A' ' 53' ' ' VAL . 50.5 mmm -88.34 141.39 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 146.09 49.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -84.08 171.63 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -99.65 -42.46 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -76.68 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.7 p -75.03 -27.96 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 57.4 45.98 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -129.73 165.73 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.7 t -70.14 -41.1 74.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 63.17 24.99 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.6 -38.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 42' ' ' MET . 9.7 t -53.42 112.09 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -143.59 148.43 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 13' ' ' TYR . 3.2 m-85 -110.52 122.53 47.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' CZ ' ' A' ' 30' ' ' PHE . 50.8 mm -99.84 117.63 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.845 HD13 ' HB2' ' A' ' 38' ' ' LYS . 4.5 tt -88.01 117.58 26.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 m-85 -102.05 164.49 11.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.79 -41.47 16.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -122.88 128.65 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -53.75 -48.13 69.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.74 -36.64 11.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.0 m -71.45 -48.35 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -51.71 -49.62 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.14 -48.96 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -51.79 -47.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 33' ' ' TYR . 52.2 t -67.64 -41.37 83.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -56.45 -12.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -113.41 -26.57 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.13 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -87.97 -26.52 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.2 t30 -55.08 144.15 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 53.36 37.66 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' HD12 ' A' ' 76' ' ' LEU . 12.8 mmmt -147.4 119.98 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.574 ' C ' HD12 ' A' ' 76' ' ' LEU . 5.3 pt20 -76.34 141.49 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' GLN . 6.7 mp -136.32 129.34 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 62.55 30.58 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.06 54.73 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 6.1 ptp180 -175.05 117.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.02 101.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 76' ' ' LEU . 5.3 mt -81.8 127.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.94 135.95 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.03 134.07 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 13' ' ' TYR . 3.8 m -154.82 130.89 10.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 87' ' ' ILE . 33.0 mm -53.95 142.36 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.6 94.02 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 85' ' ' ILE . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 21.4 m -108.66 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 0.0 110.806 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.7 m -44.77 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 58.1 -166.82 6.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.5 m -154.86 171.18 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.1 m -86.81 -59.78 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.0 138.07 5.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -61.25 -51.83 67.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -140.08 149.02 42.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.29 110.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.66 124.61 2.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 6' ' ' ALA . 1.3 tt -125.69 155.99 40.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 5' ' ' LEU . . . 73.81 54.11 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.5 Cg_endo -69.74 2.1 3.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.4 m -35.55 135.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 16.3 ttmt -48.16 -57.61 5.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' LYS . 86.1 p -34.26 -55.13 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 55' ' ' PHE . 19.4 m -44.83 143.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.7 t -115.7 117.58 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -74.47 98.93 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' HB ' HD11 ' A' ' 17' ' ' LEU . 6.7 t -113.02 129.35 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 81' ' ' ILE . 3.9 m -122.82 168.91 11.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.13 33.64 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 54' ' ' ALA . 46.3 mt -85.94 143.86 38.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.8 Cg_endo -69.72 79.86 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' PRO . 6.6 p90 -36.99 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' PRO . 7.7 t -37.51 -44.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 29' ' ' ILE . 18.3 mt -65.1 -174.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 10.9 t -134.49 159.76 40.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -34.01 -52.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -50.02 -53.05 29.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 28.3 m-20 -48.61 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -41.69 -52.38 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 36' ' ' VAL . 46.7 t80 -41.87 -51.81 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 51.5 mtt-85 -73.8 -51.3 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 21' ' ' LEU . 92.5 mt -43.51 -42.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 56' ' ' ILE . 60.5 m-85 -85.84 -16.19 39.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.1 t -60.11 -38.14 82.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 33' ' ' TYR . 3.2 pttm -46.7 -21.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 30.7 m-85 -101.12 -61.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.13 156.08 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -59.24 130.43 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 89.0 t -99.95 140.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 38' ' ' LYS . 88.9 t -102.24 -48.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HG3' HG12 ' A' ' 37' ' ' VAL . 27.8 mtpp -146.88 147.84 31.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 40' ' ' THR . 76.5 t -103.61 153.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 95.5 m -142.24 138.56 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 42' ' ' MET . 96.7 mt -135.2 140.17 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' HG3' HG12 ' A' ' 53' ' ' VAL . 13.5 mmt -80.78 167.18 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -155.49 143.47 19.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.2 174.13 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -98.82 -41.52 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -80.33 -61.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.9 p -74.79 -27.39 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 56.22 40.2 30.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -118.71 159.17 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 t -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm 65.7 24.96 11.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.42 -38.97 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 42' ' ' MET . 6.9 t -55.26 118.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.617 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -151.81 160.43 43.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 2.7 m-85 -123.65 135.16 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 30' ' ' PHE . 27.3 mm -112.76 124.3 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.0 tt -89.61 125.06 35.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.3 m-85 -108.52 155.56 20.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.89 -52.49 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 12.4 t0 -122.09 126.81 49.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -45.85 -47.14 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -41.18 -53.71 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -59.27 -43.54 92.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.26 -54.28 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' ASN . 27.5 mt-30 -39.3 -62.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' GLN . 57.4 t-20 -36.75 -60.37 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.4 t -56.35 -46.47 79.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.0 m -52.84 -15.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -112.84 -23.95 9.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.0 -48.8 33.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 83' ' ' ALA . 38.7 pt -85.31 -35.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.65 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 3.5 t-20 -48.27 133.41 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.85 41.24 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.49 147.39 43.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' C ' HD12 ' A' ' 76' ' ' LEU . 55.4 mt-30 -93.32 119.54 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 75' ' ' GLN . 7.6 mp -127.89 129.0 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 58.39 38.38 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.21 53.73 43.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 2.3 ptp180 -173.99 110.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.35 116.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 17' ' ' LEU . 7.0 mt -99.17 134.19 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -105.55 128.47 53.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.65 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -120.0 137.42 54.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.3 p -161.4 132.47 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' ILE . 49.3 mm -58.83 108.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -73.77 123.08 23.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.425 HG23 HG22 ' A' ' 85' ' ' ILE . 11.4 pt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.7 m -80.29 90.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.5 t -70.72 -54.51 11.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 54.93 104.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.2 p -106.78 159.97 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -117.88 -56.17 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.03 179.64 31.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 155.98 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' GLY . 12.8 t -101.99 83.03 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' SER . . . -36.76 122.8 0.83 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.73 -136.54 5.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 5' ' ' LEU . 9.2 tt -63.65 123.58 19.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . . . -59.33 109.84 2.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' ALA . 53.7 Cg_endo -69.73 160.83 48.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' ' HA ' ' A' ' 87' ' ' ILE . 53.4 m -148.72 -178.23 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 61' ' ' LYS . 31.1 mttp -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -47.01 17.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -59.27 133.28 55.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' CG2' ' CE1' ' A' ' 58' ' ' PHE . 93.1 t -111.88 125.32 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -84.95 100.38 11.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.567 ' HB ' HD11 ' A' ' 17' ' ' LEU . 3.0 t -115.39 125.87 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 81' ' ' ILE . 2.6 m -121.23 178.19 4.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 3.5 m120 58.74 27.78 16.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HD13 ' A' ' 81' ' ' ILE . 28.8 mt -82.82 143.95 47.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 77' ' ' PHE . 53.9 Cg_endo -69.77 84.4 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -43.11 -27.72 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -43.07 -30.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 HD11 ' A' ' 29' ' ' ILE . 16.0 mt -80.66 -178.17 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' ASN . 6.6 t -127.26 161.6 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.4 m120 -37.59 -48.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -53.39 -53.43 51.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -49.92 -60.43 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 30' ' ' PHE . 94.2 mt -49.75 -50.25 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 5.9 t80 -42.23 -57.83 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -67.11 -49.1 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HD13 ' A' ' 21' ' ' LEU . 82.1 mt -47.65 -33.3 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HD22 ' A' ' 26' ' ' LEU . 70.5 m-85 -98.46 -11.71 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -70.45 -23.87 62.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -59.2 -22.57 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CB ' ' HB2' ' A' ' 67' ' ' CYS . 72.5 m-85 -100.04 -50.79 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.27 149.04 20.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -54.94 129.57 38.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.8 t -100.21 138.11 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.692 HG12 ' HG3' ' A' ' 38' ' ' LYS . 70.2 t -103.19 -41.65 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' HG3' HG12 ' A' ' 37' ' ' VAL . 64.7 mttp -146.6 148.15 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.42 111.59 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -101.76 143.34 31.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.17 140.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.612 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 11.7 mmt -80.09 155.09 27.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -152.02 117.66 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -58.06 -177.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -109.48 -13.02 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.26 -74.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -64.04 -24.64 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 59.02 35.31 23.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -110.86 160.02 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 t -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 60.23 24.97 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.65 -37.99 1.89 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG12 ' HG3' ' A' ' 42' ' ' MET . 4.1 t -55.26 114.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -145.03 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CE1' ' CE ' ' A' ' 42' ' ' MET . 8.6 m-85 -108.6 127.02 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.536 HG13 ' CD2' ' A' ' 30' ' ' PHE . 42.0 mm -107.07 120.37 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.38 123.33 33.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CE1' ' CG2' ' A' ' 12' ' ' VAL . 49.4 m-85 -104.89 157.72 17.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 37' ' ' VAL . 13.6 tp -70.95 -52.95 16.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 49.1 t0 -115.46 133.6 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 18.8 ptmt -54.32 -43.8 71.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -47.72 -40.1 19.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -69.13 -47.67 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.62 -52.07 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -44.94 -66.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -40.11 -56.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 11.6 t -57.07 -38.71 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 2.9 m -67.99 -3.26 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -119.25 -23.86 6.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . . . -77.65 -42.59 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 83' ' ' ALA . 13.2 pt -94.33 -26.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 68' ' ' THR . 1.1 t30 -52.89 122.96 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.79 54.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -147.43 132.2 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.578 ' HG2' HG22 ' A' ' 80' ' ' VAL . 33.6 mt-30 -77.0 113.17 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.81 142.72 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CG ' ' HG3' ' A' ' 18' ' ' PRO . 50.4 m-85 49.71 25.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.32 49.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -166.84 107.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG22 ' HG2' ' A' ' 75' ' ' GLN . 98.4 t -46.9 108.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.738 HD13 HD23 ' A' ' 17' ' ' LEU . 5.0 mt -90.38 128.83 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -98.88 121.38 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 71' ' ' ILE . . . -116.75 134.46 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -164.96 137.54 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.6 mm -47.95 139.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -120.78 63.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.1 m -121.02 172.04 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.8 p -100.5 97.58 8.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -94.35 128.55 9.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -56.82 177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.5 m -110.48 106.59 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -129.85 -41.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mtt -121.65 115.47 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -85.63 -46.92 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.96 -140.56 15.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -142.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.8 mm? -112.86 147.06 37.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . 63.59 51.34 1.29 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 53.0 Cg_endo -69.81 123.24 9.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -163.22 175.5 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' SER . 19.2 ttmt -45.77 -55.29 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' LYS . 26.8 p -34.39 -57.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.9 m -61.88 135.99 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG22 ' HB1' ' A' ' 64' ' ' ALA . 99.2 t -112.19 118.38 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -75.67 103.38 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' HB ' HD11 ' A' ' 17' ' ' LEU . 4.1 t -113.14 134.5 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.8 m -130.3 166.35 20.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.07 38.11 8.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 81' ' ' ILE . 47.7 mt -93.02 143.92 27.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.1 Cg_endo -69.78 80.78 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -39.29 -31.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -38.81 -38.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 29' ' ' ILE . 12.9 mt -68.29 -175.7 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 23' ' ' ASN . 14.8 t -129.72 159.48 36.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' THR . 2.1 t-20 -34.37 -51.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -52.34 -52.8 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . 5.2 m-20 -45.09 -69.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' TYR . 76.0 mt -41.96 -59.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 26' ' ' LEU . 8.6 t80 -33.76 -52.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' SER . 30.7 mtt-85 -72.74 -55.81 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 21' ' ' LEU . 83.5 mt -42.1 -28.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 56' ' ' ILE . 67.5 m-85 -98.36 -25.15 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.3 t -54.48 -40.81 68.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 33' ' ' TYR . 16.7 ptpt -44.28 -26.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 32' ' ' LYS . 51.7 m-85 -99.98 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.94 143.62 14.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -53.51 132.21 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -100.3 138.14 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 38' ' ' LYS . 95.8 t -107.04 -44.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 37' ' ' VAL . 47.2 mtmt -143.67 134.29 24.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.9 t -97.03 148.71 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.4 m -138.54 140.9 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.0 mt -137.71 137.64 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 8.4 mmt -76.72 171.09 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' MET . 6.2 mtmt -163.11 114.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.01 174.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -95.61 -61.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -63.6 -69.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 p -63.92 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 69.84 45.05 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -119.02 150.8 39.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 t -63.83 -38.19 90.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 62.9 24.98 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.12 -37.04 2.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.15 115.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.97 158.95 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 13' ' ' TYR . 2.7 m-85 -121.67 133.83 54.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 30' ' ' PHE . 31.2 mm -113.07 123.84 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' PHE . 5.4 tt -92.4 120.46 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 30.9 m-85 -103.1 156.79 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.15 -44.58 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.25 142.11 48.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -63.68 -45.33 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.04 -53.16 21.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -49.07 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -48.75 -61.28 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' ALA . 68.5 mt-30 -34.18 -55.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -45.47 -60.75 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 42.7 t -59.15 -41.08 87.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 11.2 m -57.42 -12.42 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.11 -24.27 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.76 -46.95 50.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 ' HB2' ' A' ' 83' ' ' ALA . 28.8 pt -89.06 -26.52 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.798 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.2 t30 -60.4 136.22 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 61.59 41.01 12.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -141.72 163.33 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HG2' HG22 ' A' ' 80' ' ' VAL . 35.3 mt-30 -107.01 120.55 42.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.99 132.28 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 55.19 34.55 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.19 35.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -173.86 113.81 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 75' ' ' GLN . 78.9 t -53.86 109.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.545 HD13 HD23 ' A' ' 17' ' ' LEU . 6.2 mt -90.88 131.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -103.48 122.83 45.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . . . -117.4 132.98 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 m -151.98 147.68 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.14 115.11 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -90.03 86.13 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' H ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 stop_ save_