data_2dl9_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 2dl9 _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' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 80.4 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.817 0.342 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.425 ' C ' HG22 ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ALA . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 45' ' ' THR . 1.8 p-10 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.601 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 53' ' ' HIS . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' CD2' HD11 ' A' ' 47' ' ' LEU . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 53.3 p-80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' N ' HD21 ' A' ' 95' ' ' ASN . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ASP . 74.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 94' ' ' LEU . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 58' ' ' VAL . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 68' ' ' HIS . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 49' ' ' HIS . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' ASN . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.455 ' CD2' ' HD3' ' A' ' 55' ' ' ARG . 50.6 p-80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' C ' ' CG1' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CE2' HD13 ' A' ' 41' ' ' LEU . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 19' ' ' ILE . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.454 ' CG1' ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 71' ' ' LEU . 33.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG1' ' N ' ' A' ' 20' ' ' SER . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.42 ' OG ' ' ND2' ' A' ' 83' ' ' ASN . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.549 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.407 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.425 HG21 ' CE ' ' A' ' 80' ' ' MET . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 66' ' ' PHE . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 58' ' ' VAL . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.425 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' ND2' ' OG ' ' A' ' 35' ' ' SER . 5.7 t-20 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' MET . 53.1 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' HD12 ' A' ' 64' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.421 ' C ' HD22 ' A' ' 41' ' ' LEU . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' CE ' ' A' ' 80' ' ' MET . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 53' ' ' HIS . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 47' ' ' LEU . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 66' ' ' PHE . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 56.8 p-80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 96' ' ' VAL . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' HG23 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 69' ' ' VAL . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.501 ' CZ3' ' CD1' ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.426 ' C ' HG22 ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HB ' ' A' ' 56' ' ' ILE . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' ' 47' ' ' LEU . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.462 ' HB ' ' CD1' ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 53' ' ' HIS . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' CD2' HD11 ' A' ' 47' ' ' LEU . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 66' ' ' PHE . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' A' ' 66' ' ' PHE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 40.1 p-80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.459 ' N ' HD22 ' A' ' 71' ' ' LEU . 24.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 54.9 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 24' ' ' MET . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 55' ' ' ARG . 51.9 p-80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 55' ' ' ARG . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 79' ' ' CYS . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 78' ' ' THR . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.453 ' N ' HD22 ' A' ' 71' ' ' LEU . 15.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 ' N ' ' A' ' 20' ' ' SER . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' C ' HD21 ' A' ' 40' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.4 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 53' ' ' HIS . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.453 ' CE1' HG12 ' A' ' 58' ' ' VAL . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' ALA . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 47' ' ' LEU . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 49' ' ' HIS . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.408 ' C ' ' HG ' ' A' ' 70' ' ' LEU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HG ' ' C ' ' A' ' 69' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.4 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 21' ' ' GLU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' HD21 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' CG ' ' A' ' 39' ' ' TRP . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 44.9 p-80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 41' ' ' LEU . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.497 ' N ' HD21 ' A' ' 95' ' ' ASN . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG12 ' CG1' ' A' ' 58' ' ' VAL . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CB ' HG22 ' A' ' 46' ' ' VAL . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 40' ' ' LEU . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' HG12 ' A' ' 37' ' ' VAL . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' CG ' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 77' ' ' TYR . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.405 ' N ' HG11 ' A' ' 76' ' ' VAL . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 81' ' ' VAL . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 80' ' ' MET . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.413 ' OD1' ' CB ' ' A' ' 35' ' ' SER . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 24' ' ' MET . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 97' ' ' SER . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 38' ' ' LYS . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 55.4 p-80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.429 ' CE ' HG22 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.413 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 69' ' ' VAL . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 77' ' ' TYR . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE ' ' A' ' 80' ' ' MET . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' ALA . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' CE3' ' A' ' 39' ' ' TRP . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 55' ' ' ARG . 42.6 p-80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' HD11 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.493 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.419 ' CE ' HG11 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 24' ' ' MET . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 38' ' ' LYS . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 37' ' ' VAL . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.426 ' C ' HG23 ' A' ' 46' ' ' VAL . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.546 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 64' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 42.3 p-80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 5.5 mm . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 64' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.533 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 39' ' ' TRP . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' SER . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 43.7 p-80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.406 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 31.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG1' ' N ' ' A' ' 20' ' ' SER . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 38' ' ' LYS . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 37' ' ' VAL . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' HG13 ' A' ' 46' ' ' VAL . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 ' HB ' ' CD1' ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 31.8 p-80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD11 ' NH1' ' A' ' 55' ' ' ARG . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 11' ' ' MET . 28.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 38' ' ' LYS . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 37' ' ' VAL . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 40' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 ' N ' ' CG2' ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 48.5 p-80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' CG ' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 45' ' ' THR . 2.2 p-10 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.534 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 51' ' ' SER . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.426 ' CE ' HG21 ' A' ' 46' ' ' VAL . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 81' ' ' VAL . 71.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 24' ' ' MET . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.4 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' CE ' ' A' ' 80' ' ' MET . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' CB ' HD21 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 64' ' ' LEU . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 58' ' ' VAL . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.454 ' CE ' HG23 ' A' ' 46' ' ' VAL . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 24' ' ' MET . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' CD2' HD23 ' A' ' 64' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 40' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 77' ' ' TYR . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 ' CG2' HD12 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 64' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 39' ' ' TRP . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 56.8 p-80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.414 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -97.31 169.25 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -61.66 154.34 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.09 -157.0 21.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -116.78 -40.54 3.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -61.98 -52.7 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.54 -157.26 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -92.88 39.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 80.4 mt -128.47 88.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.425 ' C ' HG22 ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ALA . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p -64.16 134.51 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.14 163.0 34.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 t -114.95 42.59 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -137.34 166.45 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 52.28 42.27 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -95.28 149.43 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.66 -167.67 36.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -38.06 108.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.91 109.59 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 81.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -178.77 2.51 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -78.53 46.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -134.81 92.28 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 45' ' ' THR . 1.8 p-10 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.601 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 53' ' ' HIS . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' CD2' HD11 ' A' ' 47' ' ' LEU . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 53.3 p-80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' N ' HD21 ' A' ' 95' ' ' ASN . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -53.67 142.75 22.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.83 158.12 38.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -28.93 24.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 100.0 p -66.2 166.4 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -75.93 -48.38 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -93.17 166.04 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -128.1 176.1 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 -172.92 43.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -122.29 46.27 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -52.79 133.43 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.3 85.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.558 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 61.6 m-85 -107.14 48.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ASP . 74.1 mt -130.24 83.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 94' ' ' LEU . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.531 ' CD1' HD12 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 58' ' ' VAL . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 68' ' ' HIS . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 66' ' ' PHE . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG13 ' CE1' ' A' ' 49' ' ' HIS . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' ASN . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' CD2' ' HD3' ' A' ' 55' ' ' ARG . 50.6 p-80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' C ' ' CG1' ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CE2' HD13 ' A' ' 41' ' ' LEU . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' HB1' ' CZ ' ' A' ' 9' ' ' PHE . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 19' ' ' ILE . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' CG1' ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 71' ' ' LEU . 33.9 p -46.96 144.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.29 30.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.32 7.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -90.49 128.55 36.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.1 p -110.62 -47.86 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -130.82 157.59 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -67.66 118.09 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 -50.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -100.7 -47.9 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -53.32 -59.73 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.55 79.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 22.1 m-85 -119.65 43.11 2.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -130.04 85.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG1' ' N ' ' A' ' 20' ' ' SER . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' OG ' ' ND2' ' A' ' 83' ' ' ASN . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.549 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.407 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.425 HG21 ' CE ' ' A' ' 80' ' ' MET . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 66' ' ' PHE . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 58' ' ' VAL . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.452 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.425 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' ND2' ' OG ' ' A' ' 35' ' ' SER . 5.7 t-20 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.416 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -57.21 156.87 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.91 160.62 23.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -42.4 109.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 m -102.17 -61.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -134.13 165.12 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -51.0 135.85 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.22 -101.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -73.68 90.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p 38.56 33.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.1 -94.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -175.31 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 20.8 m-85 -108.0 40.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' MET . 53.1 mt -123.98 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' HD12 ' A' ' 64' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.421 ' C ' HD22 ' A' ' 41' ' ' LEU . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' CE ' ' A' ' 80' ' ' MET . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 53' ' ' HIS . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 47' ' ' LEU . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 66' ' ' PHE . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 56.8 p-80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 96' ' ' VAL . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' HG23 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 9' ' ' PHE . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 69' ' ' VAL . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -88.68 139.43 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.92 168.24 48.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.59 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -59.47 -59.27 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 t -93.84 -56.06 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -158.5 122.84 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -74.14 110.22 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.71 -52.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -168.2 159.0 10.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -156.73 140.43 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.93 -174.06 26.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -173.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 83.6 m-85 -101.9 40.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 mt -125.92 91.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.501 ' CZ3' ' CD1' ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.426 ' C ' HG22 ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HB ' ' A' ' 56' ' ' ILE . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' ' 47' ' ' LEU . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.462 ' HB ' ' CD1' ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.0 t -51.21 130.23 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.08 155.04 3.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -132.97 -52.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.4 p -45.7 -51.73 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -172.78 129.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -97.45 41.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.82 129.17 8.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -128.89 124.52 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -102.45 158.92 15.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.95 83.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -103.77 39.14 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.3 mt -123.57 100.85 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' A' ' 79' ' ' CYS . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 53' ' ' HIS . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' CD2' HD11 ' A' ' 47' ' ' LEU . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 66' ' ' PHE . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' A' ' 66' ' ' PHE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 40.1 p-80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.459 ' N ' HD22 ' A' ' 71' ' ' LEU . 24.5 p -69.64 120.0 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -45.82 166.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.246 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -72.06 146.73 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 m -85.54 155.73 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -46.01 163.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -144.91 132.5 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.64 129.11 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -125.26 -11.3 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -132.63 125.67 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.24 68.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.59 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 43.6 m-85 -57.01 -33.72 67.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 54.9 mt -57.41 100.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 24' ' ' MET . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.421 ' C ' HG22 ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HD2' ' NE2' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 55' ' ' ARG . 51.9 p-80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 55' ' ' ARG . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 79' ' ' CYS . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 78' ' ' THR . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.453 ' N ' HD22 ' A' ' 71' ' ' LEU . 15.2 p -70.2 177.18 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.22 172.55 20.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 112.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -135.73 116.77 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -42.98 141.37 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -131.39 -44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -165.79 129.51 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.9 -174.61 42.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -118.8 154.45 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -70.6 132.12 44.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 87.68 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -174.33 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 42.3 m-85 -63.79 -10.9 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 103.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 ' N ' ' A' ' 20' ' ' SER . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.519 ' CD1' HD11 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' C ' HD21 ' A' ' 40' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.4 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 41' ' ' LEU . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 53' ' ' HIS . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.453 ' CE1' HG12 ' A' ' 58' ' ' VAL . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' ALA . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 47' ' ' LEU . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 49' ' ' HIS . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.408 ' C ' ' HG ' ' A' ' 70' ' ' LEU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HG ' ' C ' ' A' ' 69' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.4 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.542 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.431 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 21' ' ' GLU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 t -49.62 138.83 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.73 156.77 53.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 m -59.31 157.08 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -131.83 175.81 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -129.54 133.92 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -118.85 7.61 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 107.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -48.16 -59.0 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -113.26 -58.91 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 172.58 23.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.79 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 30.8 m-85 -83.22 17.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.0 94.94 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.457 ' CB ' HD21 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD21 ' CG ' ' A' ' 39' ' ' TRP . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 44.9 p-80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 41' ' ' LEU . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.513 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.7 OUTLIER -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.497 ' N ' HD21 ' A' ' 95' ' ' ASN . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 t -88.73 134.02 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.38 155.39 28.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.17 28.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -164.33 131.13 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m 49.21 32.98 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -114.34 -33.95 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -78.54 157.51 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.82 -84.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m 59.9 46.07 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -134.77 107.24 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.67 72.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 63.8 m-85 -100.06 41.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt -125.14 102.52 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG12 ' CG1' ' A' ' 58' ' ' VAL . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CB ' HG22 ' A' ' 46' ' ' VAL . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 40' ' ' LEU . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' HG12 ' A' ' 37' ' ' VAL . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD22 ' CG ' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.562 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 77' ' ' TYR . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.405 ' N ' HG11 ' A' ' 76' ' ' VAL . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.417 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.403 ' C ' HG22 ' A' ' 81' ' ' VAL . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 80' ' ' MET . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.413 ' OD1' ' CB ' ' A' ' 35' ' ' SER . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -99.18 155.83 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.05 -178.87 47.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.86 16.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -128.57 168.17 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t -92.33 -57.24 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -122.77 84.84 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.02 125.59 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.93 -127.26 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 p -70.91 87.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.15 171.12 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 155.7 23.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -178.51 2.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 74.7 m-85 -85.85 41.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt -120.18 87.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 24' ' ' MET . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 97' ' ' SER . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 38' ' ' LYS . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 55.4 p-80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.429 ' CE ' HG22 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.28 28.55 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -42.74 160.93 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.7 23.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -131.13 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 t -117.06 -42.9 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -151.33 119.16 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -81.6 159.29 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -53.49 143.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 48.78 41.26 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.55 146.1 20.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -33.39 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -60.06 105.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 HG22 ' CG2' ' A' ' 69' ' ' VAL . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 77' ' ' TYR . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CE ' ' A' ' 80' ' ' MET . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' ALA . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' CE3' ' A' ' 39' ' ' TRP . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 55' ' ' ARG . 42.6 p-80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' HD11 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.493 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.419 ' CE ' HG11 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 p -46.84 158.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.86 173.7 19.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.47 23.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -99.36 -59.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 m -59.59 126.2 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.54 81.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -103.57 161.72 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.05 -132.65 39.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -149.25 115.65 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.14 115.09 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.07 -158.15 8.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.5 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.437 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 25.3 m-85 -66.73 -29.32 69.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -72.32 97.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 24' ' ' MET . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 38' ' ' LYS . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 37' ' ' VAL . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.426 ' C ' HG23 ' A' ' 46' ' ' VAL . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.546 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 64' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 42.3 p-80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t -49.8 130.46 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.19 158.1 17.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -2.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.3 p -44.69 143.09 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 t -74.47 144.91 43.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -90.84 -50.87 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -79.74 137.79 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.66 44.25 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p -137.94 116.55 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -49.98 -50.91 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.99 90.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 35.3 m-85 -87.86 40.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 5.5 mm -116.34 83.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' CD1' HD11 ' A' ' 64' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.533 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 39' ' ' TRP . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' SER . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 43.7 p-80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.406 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.431 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -55.8 141.87 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.16 171.37 53.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -39.53 6.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t -100.65 138.73 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.66 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.7 t -153.27 130.72 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.81 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 m -34.81 -47.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 149.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -96.35 -55.38 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -105.27 167.05 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.04 -159.54 26.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 40.2 m-85 -99.88 38.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 31.6 mt -125.96 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG1' ' N ' ' A' ' 20' ' ' SER . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 38' ' ' LYS . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 37' ' ' VAL . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' HG13 ' A' ' 46' ' ' VAL . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 ' HB ' ' CD1' ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD2' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 31.8 p-80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD11 ' NH1' ' A' ' 55' ' ' ARG . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' A' ' 9' ' ' PHE . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -62.59 144.42 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.97 177.82 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 t -83.97 -63.07 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -51.09 143.31 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.19 148.28 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 43.86 41.34 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -177.95 35.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -165.07 179.42 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -169.42 178.38 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 -95.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.4 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.564 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 8.2 m-85 -106.95 3.99 26.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 11' ' ' MET . 28.3 mt -89.69 137.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 38' ' ' LYS . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 37' ' ' VAL . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 40' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 ' N ' ' CG2' ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 48.5 p-80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p -59.04 171.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.23 159.06 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -44.47 2.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 t -103.38 151.85 22.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -107.17 109.29 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -117.12 125.47 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -63.69 -53.22 54.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.92 -105.57 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.38 130.07 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -174.96 122.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.69 142.45 15.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.73 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 21.0 m-85 -66.56 -32.12 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt -69.47 94.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD11 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' CG ' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 27' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.534 ' ND2' ' H ' ' A' ' 45' ' ' THR . 2.2 p-10 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.534 ' H ' ' ND2' ' A' ' 43' ' ' ASN . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 51' ' ' SER . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.426 ' CE ' HG21 ' A' ' 46' ' ' VAL . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p -59.57 165.08 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 154.77 25.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 95.11 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -60.42 -45.28 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -71.07 136.27 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -91.64 130.14 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -78.31 -58.56 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 142.51 3.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -77.37 -55.35 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -91.39 -56.7 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.85 -149.7 17.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -171.39 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 85' ' ' ALA . 30.6 m-85 -66.76 -41.12 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 81' ' ' VAL . 71.5 mt -46.87 94.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 24' ' ' MET . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 ' CZ3' ' A' ' 39' ' ' TRP . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CZ3' HD12 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' HB2' ' CE ' ' A' ' 80' ' ' MET . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.4 ' CG2' ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' CE ' ' A' ' 80' ' ' MET . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' CB ' HD21 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 HG23 ' CD1' ' A' ' 64' ' ' LEU . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' CD1' HG23 ' A' ' 58' ' ' VAL . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.484 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.454 ' CE ' HG23 ' A' ' 46' ' ' VAL . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -45.81 147.82 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.46 158.69 14.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.89 11.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -104.95 157.53 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -94.32 153.59 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -93.43 114.89 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -68.32 167.82 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.15 57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -104.49 95.23 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -79.63 74.83 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.55 82.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 48.7 m-85 -67.3 -27.99 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.63 86.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 24' ' ' MET . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' CD2' HD23 ' A' ' 64' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 40' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' A' ' 77' ' ' TYR . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 ' CG2' HD12 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 64' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 39' ' ' TRP . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 56.8 p-80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -48.33 144.14 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.27 170.98 18.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -50.56 134.64 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.2 m -124.67 105.99 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 HG21 ' A' ' 81' ' ' VAL . 80.4 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.817 0.342 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 25' ' ' ALA . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' HG12 ' A' ' 96' ' ' VAL . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.762 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.877 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.877 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.678 ' H ' HG22 ' A' ' 45' ' ' THR . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD22 ' OG ' ' A' ' 51' ' ' SER . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.855 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.508 ' CG2' HD11 ' A' ' 64' ' ' LEU . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG21 HG23 ' A' ' 19' ' ' ILE . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 98' ' ' SER . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ALA . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.525 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 10' ' ' ILE . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 78' ' ' THR . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 21' ' ' GLU . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.823 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.767 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 41' ' ' LEU . 10.0 p30 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.698 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.698 ' H ' HG22 ' A' ' 45' ' ' THR . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 56' ' ' ILE . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.682 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 12.7 p80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 19' ' ' ILE . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 98' ' ' SER . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.576 ' CE ' HG21 ' A' ' 46' ' ' VAL . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 95' ' ' ASN . 1.6 t30 -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG11 ' C ' ' A' ' 70' ' ' LEU . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 71' ' ' LEU . 19.9 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' C ' ' A' ' 12' ' ' ASP . 74.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' HG22 ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 94' ' ' LEU . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' HD22 ' A' ' 65' ' ' ASN . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CD1' HD13 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD12 ' HE2' ' A' ' 80' ' ' MET . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.696 ' H ' HG22 ' A' ' 45' ' ' THR . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.706 ' CG2' HD11 ' A' ' 64' ' ' LEU . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' LEU . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 11.9 p80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 19' ' ' ILE . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.808 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.745 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 HG12 ' A' ' 10' ' ' ILE . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 17' ' ' LEU . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.808 HG11 ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 71' ' ' LEU . 33.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.505 HG23 HG21 ' A' ' 69' ' ' VAL . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 96' ' ' VAL . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 37' ' ' VAL . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 31' ' ' THR . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.667 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 41' ' ' LEU . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 45' ' ' THR . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 47' ' ' LEU . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG21 HG23 ' A' ' 19' ' ' ILE . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.593 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.513 HD21 ' H ' ' A' ' 85' ' ' ALA . 11.6 t30 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' H ' HD21 ' A' ' 83' ' ' ASN . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 21' ' ' GLU . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 81' ' ' VAL . 53.1 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 25' ' ' ALA . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 46' ' ' VAL . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.659 ' H ' HG22 ' A' ' 45' ' ' THR . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 56' ' ' ILE . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CG2' HD11 ' A' ' 64' ' ' LEU . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.601 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 15.4 p80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 HG23 ' A' ' 19' ' ' ILE . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 96' ' ' VAL . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.643 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.594 HG21 HG12 ' A' ' 10' ' ' ILE . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.694 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 71' ' ' LEU . 1.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 81' ' ' VAL . 14.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.619 HG23 HG21 ' A' ' 69' ' ' VAL . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.012 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 1.012 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 45' ' ' THR . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 51' ' ' SER . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 47' ' ' LEU . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 27' ' ' LEU . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 27' ' ' LEU . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG21 HG23 ' A' ' 19' ' ' ILE . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 98' ' ' SER . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 90' ' ' ALA . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.608 HG21 HG12 ' A' ' 10' ' ' ILE . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 71' ' ' LEU . 17.0 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 81' ' ' VAL . 23.3 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.757 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.757 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.712 ' H ' HG22 ' A' ' 45' ' ' THR . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ARG . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.619 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 64' ' ' LEU . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD1' ' H ' ' A' ' 59' ' ' LEU . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.619 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 16.6 p80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.746 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 90' ' ' ALA . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.49 ' HE2' ' HB2' ' A' ' 40' ' ' LEU . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.48 HG21 HG12 ' A' ' 10' ' ' ILE . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' THR . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.746 HG11 ' C ' ' A' ' 70' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.786 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG12 HG21 ' A' ' 81' ' ' VAL . 54.9 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 69' ' ' VAL . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.706 ' H ' HG22 ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 51' ' ' SER . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB2' HD22 ' A' ' 47' ' ' LEU . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.63 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 64' ' ' LEU . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.63 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 12.1 p80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 19' ' ' ILE . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' C ' HG11 ' A' ' 96' ' ' VAL . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 90' ' ' ALA . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HG12 ' A' ' 10' ' ' ILE . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' THR . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.781 ' HB3' HD11 ' A' ' 71' ' ' LEU . 15.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 23' ' ' ARG . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HA ' HG23 ' A' ' 69' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 19' ' ' ILE . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CE3' HD22 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.604 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD22 ' OG ' ' A' ' 51' ' ' SER . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.857 ' OG ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ARG . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 64' ' ' LEU . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.83 HD22 ' CE3' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 21' ' ' GLU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 ' C ' HG11 ' A' ' 96' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 96' ' ' VAL . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.604 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 71' ' ' LEU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' HD21 ' A' ' 71' ' ' LEU . 5.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 25' ' ' ALA . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' HD11 ' A' ' 19' ' ' ILE . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.752 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.702 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.662 ' H ' HG22 ' A' ' 45' ' ' THR . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' HD22 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 64' ' ' LEU . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 58' ' ' VAL . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 55' ' ' ARG . 20.6 p80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.653 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 98' ' ' SER . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.653 HG11 ' C ' ' A' ' 70' ' ' LEU . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.588 ' HB2' HD11 ' A' ' 71' ' ' LEU . 21.8 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.539 HG23 HG21 ' A' ' 69' ' ' VAL . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' HG12 ' A' ' 96' ' ' VAL . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.788 ' CD2' HD22 ' A' ' 64' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.634 ' H ' HG22 ' A' ' 45' ' ' THR . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD12 HG21 ' A' ' 56' ' ' ILE . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' LEU . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 HG23 ' A' ' 19' ' ' ILE . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 98' ' ' SER . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.704 HG12 HD21 ' A' ' 83' ' ' ASN . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.704 HD21 HG12 ' A' ' 81' ' ' VAL . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 21' ' ' GLU . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.547 ' HB2' HD21 ' A' ' 71' ' ' LEU . 7.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 69' ' ' VAL . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' A' ' 96' ' ' VAL . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.777 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HD2' HG11 ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.777 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.61 ' N ' HG22 ' A' ' 45' ' ' THR . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 56' ' ' ILE . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 47' ' ' LEU . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 19.9 p80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 19' ' ' ILE . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 90' ' ' ALA . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.596 ' CE ' HG21 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.715 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.715 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 78' ' ' THR . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 21' ' ' GLU . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.483 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 23' ' ' ARG . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 19' ' ' ILE . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' HG11 ' A' ' 46' ' ' VAL . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CD2' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 40' ' ' LEU . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.89 HD22 ' OG ' ' A' ' 51' ' ' SER . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.89 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.657 ' CG2' HD11 ' A' ' 64' ' ' LEU . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 8.9 p80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.865 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.503 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 78' ' ' THR . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.865 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 48.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 81' ' ' VAL . 79.1 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.721 ' CD2' HD22 ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.546 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' HD23 ' A' ' 41' ' ' LEU . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.603 HG11 ' CE ' ' A' ' 80' ' ' MET . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 56' ' ' ILE . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 47' ' ' LEU . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' CD2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.614 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 8.5 p80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 19' ' ' ILE . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 98' ' ' SER . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.603 ' CE ' HG11 ' A' ' 46' ' ' VAL . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 10' ' ' ILE . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 84' ' ' VAL . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 71' ' ' LEU . 31.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 81' ' ' VAL . 5.5 mm . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.789 HD13 ' HB2' ' A' ' 25' ' ' ALA . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 63' ' ' THR . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 41' ' ' LEU . 5.4 p30 -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.732 ' H ' HG22 ' A' ' 45' ' ' THR . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG21 ' A' ' 56' ' ' ILE . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 47' ' ' LEU . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 64' ' ' LEU . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 27' ' ' LEU . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 9.3 p80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 19' ' ' ILE . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' HG11 ' A' ' 96' ' ' VAL . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' HD1' ' A' ' 93' ' ' TYR . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.719 HG21 ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.448 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' ASP . 31.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CB ' HD11 ' A' ' 19' ' ' ILE . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.961 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.961 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HA ' HG22 ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.581 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.604 HG22 ' N ' ' A' ' 46' ' ' VAL . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.604 ' N ' HG22 ' A' ' 45' ' ' THR . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD12 HG21 ' A' ' 56' ' ' ILE . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 47' ' ' LEU . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 64' ' ' LEU . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 7.7 p80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 96' ' ' VAL . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' HD2' ' A' ' 93' ' ' TYR . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HD2' HG22 ' A' ' 76' ' ' VAL . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 30' ' ' ARG . 28.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 25' ' ' ALA . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' HG12 ' A' ' 96' ' ' VAL . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 19' ' ' ILE . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 63' ' ' THR . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 56' ' ' ILE . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 47' ' ' LEU . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 64' ' ' LEU . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' LEU . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 10.8 p80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG21 HG23 ' A' ' 19' ' ' ILE . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 96' ' ' VAL . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.411 ' CE ' HG21 ' A' ' 46' ' ' VAL . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 71' ' ' LEU . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 25' ' ' ALA . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HG12 ' A' ' 96' ' ' VAL . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HG2' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CD1' HD13 ' A' ' 64' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.731 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' ND2' ' CB ' ' A' ' 41' ' ' LEU . 11.6 p30 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 46' ' ' VAL . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 45' ' ' THR . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' HD11 ' A' ' 64' ' ' LEU . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.748 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 90' ' ' ALA . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.583 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG21 HG12 ' A' ' 10' ' ' ILE . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' THR . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 21' ' ' GLU . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.881 HG12 HG21 ' A' ' 81' ' ' VAL . 71.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 69' ' ' VAL . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 63' ' ' THR . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' VAL . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 31' ' ' THR . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 78' ' ' THR . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.687 ' H ' HG22 ' A' ' 45' ' ' THR . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' HD22 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 63' ' ' THR . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 56' ' ' ILE . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG21 HG23 ' A' ' 19' ' ' ILE . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' C ' HG11 ' A' ' 96' ' ' VAL . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' N ' ' A' ' 98' ' ' SER . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 92' ' ' ALA . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 40' ' ' LEU . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 40' ' ' LEU . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.881 HG21 HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HD2' HG22 ' A' ' 76' ' ' VAL . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.522 HG11 ' C ' ' A' ' 70' ' ' LEU . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.523 ' N ' HD21 ' A' ' 71' ' ' LEU . 6.4 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.63 HG12 HG21 ' A' ' 81' ' ' VAL . 62.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.558 HG21 HG22 ' A' ' 37' ' ' VAL . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 31' ' ' THR . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.857 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' H ' HG22 ' A' ' 45' ' ' THR . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 56' ' ' ILE . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB2' HD22 ' A' ' 47' ' ' LEU . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.721 ' CG2' HD11 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 63' ' ' THR . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 27' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD11 ' CG2' ' A' ' 56' ' ' ILE . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 15.3 p80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 19' ' ' ILE . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' HD2' ' A' ' 93' ' ' TYR . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HD12 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 10' ' ' ILE . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 76' ' ' VAL . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -97.31 169.25 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -61.66 154.34 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.09 -157.0 21.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -116.78 -40.54 3.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -61.98 -52.7 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.54 -157.26 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -92.88 39.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 HG21 ' A' ' 81' ' ' VAL . 80.4 mt -128.47 88.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 25' ' ' ALA . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' HG12 ' A' ' 96' ' ' VAL . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.762 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.877 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.877 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.678 ' H ' HG22 ' A' ' 45' ' ' THR . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD22 ' OG ' ' A' ' 51' ' ' SER . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.855 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.508 ' CG2' HD11 ' A' ' 64' ' ' LEU . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG21 HG23 ' A' ' 19' ' ' ILE . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 98' ' ' SER . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ALA . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 10' ' ' ILE . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 78' ' ' THR . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 21' ' ' GLU . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.823 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.6 p -64.16 134.51 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.14 163.0 34.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 t -114.95 42.59 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -137.34 166.45 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 52.28 42.27 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -95.28 149.43 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.66 -167.67 36.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -38.06 108.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.91 109.59 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 81.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -178.77 2.51 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -78.53 46.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -134.81 92.28 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.767 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 41' ' ' LEU . 10.0 p30 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.698 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.698 ' H ' HG22 ' A' ' 45' ' ' THR . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 56' ' ' ILE . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 12.7 p80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 19' ' ' ILE . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 98' ' ' SER . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.576 ' CE ' HG21 ' A' ' 46' ' ' VAL . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 95' ' ' ASN . 1.6 t30 -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG11 ' C ' ' A' ' 70' ' ' LEU . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 71' ' ' LEU . 19.9 p -53.67 142.75 22.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.83 158.12 38.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -28.93 24.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 100.0 p -66.2 166.4 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -75.93 -48.38 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -93.17 166.04 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -128.1 176.1 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 -172.92 43.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -122.29 46.27 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -52.79 133.43 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.3 85.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 61.6 m-85 -107.14 48.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' C ' ' A' ' 12' ' ' ASP . 74.1 mt -130.24 83.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' HG22 ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 94' ' ' LEU . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' HD22 ' A' ' 65' ' ' ASN . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CD1' HD13 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD12 ' HE2' ' A' ' 80' ' ' MET . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.696 ' H ' HG22 ' A' ' 45' ' ' THR . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.706 ' CG2' HD11 ' A' ' 64' ' ' LEU . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' LEU . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 11.9 p80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 19' ' ' ILE . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.808 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.745 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 HG12 ' A' ' 10' ' ' ILE . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 17' ' ' LEU . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.808 HG11 ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 71' ' ' LEU . 33.9 p -46.96 144.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.29 30.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.32 7.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -90.49 128.55 36.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.1 p -110.62 -47.86 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -130.82 157.59 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -67.66 118.09 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 -50.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -100.7 -47.9 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -53.32 -59.73 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.55 79.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 22.1 m-85 -119.65 43.11 2.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -130.04 85.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.505 HG23 HG21 ' A' ' 69' ' ' VAL . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 96' ' ' VAL . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 37' ' ' VAL . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 31' ' ' THR . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.667 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 41' ' ' LEU . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 45' ' ' THR . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 47' ' ' LEU . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG21 HG23 ' A' ' 19' ' ' ILE . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.593 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.513 HD21 ' H ' ' A' ' 85' ' ' ALA . 11.6 t30 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' H ' HD21 ' A' ' 83' ' ' ASN . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 21' ' ' GLU . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -57.21 156.87 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.91 160.62 23.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -42.4 109.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 m -102.17 -61.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -134.13 165.12 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -51.0 135.85 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.22 -101.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -73.68 90.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p 38.56 33.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.1 -94.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -175.31 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 20.8 m-85 -108.0 40.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 81' ' ' VAL . 53.1 mt -123.98 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 25' ' ' ALA . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 46' ' ' VAL . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.659 ' H ' HG22 ' A' ' 45' ' ' THR . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 56' ' ' ILE . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CG2' HD11 ' A' ' 64' ' ' LEU . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.601 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 15.4 p80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 HG23 ' A' ' 19' ' ' ILE . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 96' ' ' VAL . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.643 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.594 HG21 HG12 ' A' ' 10' ' ' ILE . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.542 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.694 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 71' ' ' LEU . 1.5 t -88.68 139.43 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.92 168.24 48.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.59 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -59.47 -59.27 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 t -93.84 -56.06 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -158.5 122.84 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -74.14 110.22 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.71 -52.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -168.2 159.0 10.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -156.73 140.43 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.93 -174.06 26.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -173.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 83.6 m-85 -101.9 40.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 81' ' ' VAL . 14.1 mt -125.92 91.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.619 HG23 HG21 ' A' ' 69' ' ' VAL . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.012 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 1.012 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 45' ' ' THR . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 51' ' ' SER . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 47' ' ' LEU . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 27' ' ' LEU . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 27' ' ' LEU . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG21 HG23 ' A' ' 19' ' ' ILE . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 98' ' ' SER . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 90' ' ' ALA . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.608 HG21 HG12 ' A' ' 10' ' ' ILE . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 71' ' ' LEU . 17.0 t -51.21 130.23 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.08 155.04 3.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -132.97 -52.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.4 p -45.7 -51.73 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -172.78 129.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -97.45 41.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.82 129.17 8.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -128.89 124.52 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -102.45 158.92 15.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.95 83.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -103.77 39.14 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 81' ' ' VAL . 23.3 mt -123.57 100.85 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.757 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.757 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.712 ' H ' HG22 ' A' ' 45' ' ' THR . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ARG . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.619 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 64' ' ' LEU . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD1' ' H ' ' A' ' 59' ' ' LEU . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.619 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 16.6 p80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.746 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 90' ' ' ALA . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.49 ' HE2' ' HB2' ' A' ' 40' ' ' LEU . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG21 HG12 ' A' ' 10' ' ' ILE . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' THR . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.746 HG11 ' C ' ' A' ' 70' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.786 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.5 p -69.64 120.0 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -45.82 166.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.246 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -72.06 146.73 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 m -85.54 155.73 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -46.01 163.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -144.91 132.5 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.64 129.11 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -125.26 -11.3 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -132.63 125.67 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.24 68.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.59 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -57.01 -33.72 67.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG12 HG21 ' A' ' 81' ' ' VAL . 54.9 mt -57.41 100.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 69' ' ' VAL . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.706 ' H ' HG22 ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 51' ' ' SER . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB2' HD22 ' A' ' 47' ' ' LEU . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.63 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 64' ' ' LEU . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.63 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 12.1 p80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 19' ' ' ILE . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' C ' HG11 ' A' ' 96' ' ' VAL . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 90' ' ' ALA . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HG12 ' A' ' 10' ' ' ILE . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' THR . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.781 ' HB3' HD11 ' A' ' 71' ' ' LEU . 15.2 p -70.2 177.18 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.22 172.55 20.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 112.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -135.73 116.77 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -42.98 141.37 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -131.39 -44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -165.79 129.51 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.9 -174.61 42.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -118.8 154.45 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -70.6 132.12 44.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 87.68 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -174.33 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 42.3 m-85 -63.79 -10.9 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 103.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 23' ' ' ARG . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HA ' HG23 ' A' ' 69' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 19' ' ' ILE . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CE3' HD22 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.604 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD22 ' OG ' ' A' ' 51' ' ' SER . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.857 ' OG ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ARG . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 64' ' ' LEU . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.83 HD22 ' CE3' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 21' ' ' GLU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 ' C ' HG11 ' A' ' 96' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 96' ' ' VAL . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.604 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 71' ' ' LEU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' HD21 ' A' ' 71' ' ' LEU . 5.1 t -49.62 138.83 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.73 156.77 53.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 m -59.31 157.08 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -131.83 175.81 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -129.54 133.92 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -118.85 7.61 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 107.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -48.16 -59.0 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -113.26 -58.91 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 172.58 23.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.79 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 30.8 m-85 -83.22 17.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.0 94.94 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 25' ' ' ALA . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' HD11 ' A' ' 19' ' ' ILE . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.752 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.702 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.662 ' H ' HG22 ' A' ' 45' ' ' THR . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' HD22 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 64' ' ' LEU . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 58' ' ' VAL . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 55' ' ' ARG . 20.6 p80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.653 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 98' ' ' SER . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.653 HG11 ' C ' ' A' ' 70' ' ' LEU . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.588 ' HB2' HD11 ' A' ' 71' ' ' LEU . 21.8 t -88.73 134.02 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.38 155.39 28.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.17 28.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -164.33 131.13 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m 49.21 32.98 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -114.34 -33.95 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -78.54 157.51 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.82 -84.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m 59.9 46.07 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -134.77 107.24 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.67 72.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 63.8 m-85 -100.06 41.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt -125.14 102.52 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.539 HG23 HG21 ' A' ' 69' ' ' VAL . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' HG12 ' A' ' 96' ' ' VAL . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.788 ' CD2' HD22 ' A' ' 64' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.634 ' H ' HG22 ' A' ' 45' ' ' THR . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD12 HG21 ' A' ' 56' ' ' ILE . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' LEU . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 HG23 ' A' ' 19' ' ' ILE . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 98' ' ' SER . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.704 HG12 HD21 ' A' ' 83' ' ' ASN . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.704 HD21 HG12 ' A' ' 81' ' ' VAL . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.551 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 21' ' ' GLU . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.547 ' HB2' HD21 ' A' ' 71' ' ' LEU . 7.3 t -99.18 155.83 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.05 -178.87 47.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.86 16.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -128.57 168.17 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t -92.33 -57.24 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -122.77 84.84 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.02 125.59 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.93 -127.26 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 p -70.91 87.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.15 171.12 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 155.7 23.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -178.51 2.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -85.85 41.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt -120.18 87.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 69' ' ' VAL . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' A' ' 96' ' ' VAL . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.777 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HD2' HG11 ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.777 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.61 ' N ' HG22 ' A' ' 45' ' ' THR . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 56' ' ' ILE . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 47' ' ' LEU . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 19.9 p80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 19' ' ' ILE . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 90' ' ' ALA . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.596 ' CE ' HG21 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.715 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.715 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 78' ' ' THR . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 21' ' ' GLU . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.28 28.55 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -42.74 160.93 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.7 23.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -131.13 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 t -117.06 -42.9 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -151.33 119.16 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -81.6 159.29 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -53.49 143.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 48.78 41.26 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.55 146.1 20.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -33.39 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -60.06 105.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.483 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 23' ' ' ARG . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 19' ' ' ILE . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' HG11 ' A' ' 46' ' ' VAL . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CD2' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 40' ' ' LEU . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.89 HD22 ' OG ' ' A' ' 51' ' ' SER . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.89 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.657 ' CG2' HD11 ' A' ' 64' ' ' LEU . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.618 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 8.9 p80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.865 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.503 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 78' ' ' THR . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.865 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 48.0 p -46.84 158.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.86 173.7 19.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.47 23.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -99.36 -59.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 m -59.59 126.2 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.54 81.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -103.57 161.72 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.05 -132.65 39.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -149.25 115.65 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.14 115.09 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.07 -158.15 8.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.5 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 25.3 m-85 -66.73 -29.32 69.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 81' ' ' VAL . 79.1 mt -72.32 97.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.721 ' CD2' HD22 ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.546 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' HD23 ' A' ' 41' ' ' LEU . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.603 HG11 ' CE ' ' A' ' 80' ' ' MET . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 56' ' ' ILE . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.614 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 47' ' ' LEU . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' CD2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.614 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 8.5 p80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 19' ' ' ILE . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 98' ' ' SER . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.603 ' CE ' HG11 ' A' ' 46' ' ' VAL . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 10' ' ' ILE . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 84' ' ' VAL . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 71' ' ' LEU . 31.1 t -49.8 130.46 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.19 158.1 17.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -2.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.3 p -44.69 143.09 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 t -74.47 144.91 43.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -90.84 -50.87 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -79.74 137.79 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.66 44.25 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p -137.94 116.55 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -49.98 -50.91 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.99 90.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -87.86 40.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 81' ' ' VAL . 5.5 mm -116.34 83.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.789 HD13 ' HB2' ' A' ' 25' ' ' ALA . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 63' ' ' THR . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.72 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 41' ' ' LEU . 5.4 p30 -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.732 ' H ' HG22 ' A' ' 45' ' ' THR . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG21 ' A' ' 56' ' ' ILE . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 47' ' ' LEU . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 64' ' ' LEU . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 27' ' ' LEU . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 9.3 p80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 19' ' ' ILE . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' HG11 ' A' ' 96' ' ' VAL . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' HD1' ' A' ' 93' ' ' TYR . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.719 HG21 ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -55.8 141.87 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.16 171.37 53.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -39.53 6.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t -100.65 138.73 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.66 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.7 t -153.27 130.72 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.81 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 m -34.81 -47.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 149.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -96.35 -55.38 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -105.27 167.05 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.04 -159.54 26.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -99.88 38.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' ASP . 31.6 mt -125.96 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CB ' HD11 ' A' ' 19' ' ' ILE . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.961 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.961 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HA ' HG22 ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.581 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.604 HG22 ' N ' ' A' ' 46' ' ' VAL . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.604 ' N ' HG22 ' A' ' 45' ' ' THR . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD12 HG21 ' A' ' 56' ' ' ILE . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 47' ' ' LEU . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 64' ' ' LEU . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 7.7 p80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 96' ' ' VAL . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' HD2' ' A' ' 93' ' ' TYR . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HD2' HG22 ' A' ' 76' ' ' VAL . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -62.59 144.42 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.97 177.82 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 t -83.97 -63.07 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -51.09 143.31 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.19 148.28 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 43.86 41.34 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -177.95 35.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -165.07 179.42 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -169.42 178.38 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 -95.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.4 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 8.2 m-85 -106.95 3.99 26.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 30' ' ' ARG . 28.3 mt -89.69 137.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 25' ' ' ALA . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' HG12 ' A' ' 96' ' ' VAL . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 19' ' ' ILE . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 63' ' ' THR . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.733 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 56' ' ' ILE . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 47' ' ' LEU . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 64' ' ' LEU . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' LEU . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 10.8 p80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG21 HG23 ' A' ' 19' ' ' ILE . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 96' ' ' VAL . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.411 ' CE ' HG21 ' A' ' 46' ' ' VAL . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 71' ' ' LEU . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p -59.04 171.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.23 159.06 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -44.47 2.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 t -103.38 151.85 22.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -107.17 109.29 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -117.12 125.47 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -63.69 -53.22 54.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.92 -105.57 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.38 130.07 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -174.96 122.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.69 142.45 15.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.73 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 21.0 m-85 -66.56 -32.12 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt -69.47 94.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 25' ' ' ALA . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HG12 ' A' ' 96' ' ' VAL . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HG2' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CD1' HD13 ' A' ' 64' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.731 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' ND2' ' CB ' ' A' ' 41' ' ' LEU . 11.6 p30 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 46' ' ' VAL . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 45' ' ' THR . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' HD11 ' A' ' 64' ' ' LEU . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.748 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 90' ' ' ALA . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.583 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG21 HG12 ' A' ' 10' ' ' ILE . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' THR . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 21' ' ' GLU . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p -59.57 165.08 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 154.77 25.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 95.11 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -60.42 -45.28 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -71.07 136.27 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -91.64 130.14 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -78.31 -58.56 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 142.51 3.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -77.37 -55.35 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -91.39 -56.7 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.85 -149.7 17.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -171.39 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -66.76 -41.12 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.881 HG12 HG21 ' A' ' 81' ' ' VAL . 71.5 mt -46.87 94.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 69' ' ' VAL . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 63' ' ' THR . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' VAL . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 31' ' ' THR . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 78' ' ' THR . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.687 ' H ' HG22 ' A' ' 45' ' ' THR . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' HD22 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 63' ' ' THR . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 56' ' ' ILE . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG21 HG23 ' A' ' 19' ' ' ILE . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' C ' HG11 ' A' ' 96' ' ' VAL . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' N ' ' A' ' 98' ' ' SER . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 92' ' ' ALA . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 40' ' ' LEU . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 40' ' ' LEU . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.881 HG21 HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HD2' HG22 ' A' ' 76' ' ' VAL . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.522 HG11 ' C ' ' A' ' 70' ' ' LEU . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.523 ' N ' HD21 ' A' ' 71' ' ' LEU . 6.4 t -45.81 147.82 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.46 158.69 14.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.89 11.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -104.95 157.53 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -94.32 153.59 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -93.43 114.89 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -68.32 167.82 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.15 57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -104.49 95.23 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -79.63 74.83 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.55 82.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 48.7 m-85 -67.3 -27.99 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.63 HG12 HG21 ' A' ' 81' ' ' VAL . 62.2 mt -66.63 86.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.558 HG21 HG22 ' A' ' 37' ' ' VAL . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 31' ' ' THR . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.857 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' H ' HG22 ' A' ' 45' ' ' THR . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 56' ' ' ILE . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB2' HD22 ' A' ' 47' ' ' LEU . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.721 ' CG2' HD11 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 63' ' ' THR . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 27' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD11 ' CG2' ' A' ' 56' ' ' ILE . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 15.3 p80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 19' ' ' ILE . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' HD2' ' A' ' 93' ' ' TYR . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HD12 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 10' ' ' ILE . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 76' ' ' VAL . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -48.33 144.14 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.27 170.98 18.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -50.56 134.64 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.2 m -124.67 105.99 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 HG21 ' A' ' 81' ' ' VAL . 80.4 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.817 0.342 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 25' ' ' ALA . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' HG12 ' A' ' 96' ' ' VAL . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.762 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.877 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.877 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.678 ' H ' HG22 ' A' ' 45' ' ' THR . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD22 ' OG ' ' A' ' 51' ' ' SER . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.855 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.508 ' CG2' HD11 ' A' ' 64' ' ' LEU . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG21 HG23 ' A' ' 19' ' ' ILE . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 98' ' ' SER . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ALA . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.525 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 10' ' ' ILE . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 78' ' ' THR . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 21' ' ' GLU . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.823 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.767 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 45' ' ' THR . 1.8 p-10 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.698 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.698 ' H ' HG22 ' A' ' 45' ' ' THR . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 56' ' ' ILE . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.682 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 53.3 p-80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 19' ' ' ILE . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 98' ' ' SER . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.576 ' CE ' HG21 ' A' ' 46' ' ' VAL . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.537 ' N ' HD22 ' A' ' 95' ' ' ASN . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 71' ' ' LEU . 19.9 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' C ' ' A' ' 12' ' ' ASP . 74.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' HG22 ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 94' ' ' LEU . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' HD22 ' A' ' 65' ' ' ASN . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CD1' HD13 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.745 HD12 ' HE2' ' A' ' 80' ' ' MET . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.696 ' H ' HG22 ' A' ' 45' ' ' THR . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' NE ' HD21 ' A' ' 70' ' ' LEU . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.706 ' CG2' HD11 ' A' ' 64' ' ' LEU . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' LEU . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.6 p-80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 19' ' ' ILE . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.808 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.745 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 HG12 ' A' ' 10' ' ' ILE . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 17' ' ' LEU . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.808 HG11 ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 71' ' ' LEU . 33.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.505 HG23 HG21 ' A' ' 69' ' ' VAL . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 96' ' ' VAL . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 37' ' ' VAL . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' OG ' ' ND2' ' A' ' 83' ' ' ASN . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 31' ' ' THR . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.667 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 41' ' ' LEU . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 45' ' ' THR . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 47' ' ' LEU . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.43 ' HD2' HD21 ' A' ' 70' ' ' LEU . 51.1 p-80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG21 HG23 ' A' ' 19' ' ' ILE . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 68' ' ' HIS . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.593 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' ND2' ' OG ' ' A' ' 35' ' ' SER . 5.7 t-20 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 21' ' ' GLU . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 81' ' ' VAL . 53.1 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 25' ' ' ALA . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 46' ' ' VAL . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.659 ' H ' HG22 ' A' ' 45' ' ' THR . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 56' ' ' ILE . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CG2' HD11 ' A' ' 64' ' ' LEU . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.694 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.714 ' HD2' HD11 ' A' ' 70' ' ' LEU . 56.8 p-80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 HG23 ' A' ' 19' ' ' ILE . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.746 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 96' ' ' VAL . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.643 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.594 HG21 HG12 ' A' ' 10' ' ' ILE . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.694 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 71' ' ' LEU . 1.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 81' ' ' VAL . 14.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.619 HG23 HG21 ' A' ' 69' ' ' VAL . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.012 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 1.012 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 45' ' ' THR . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 51' ' ' SER . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 47' ' ' LEU . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 27' ' ' LEU . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 27' ' ' LEU . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG21 HG23 ' A' ' 19' ' ' ILE . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 98' ' ' SER . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 90' ' ' ALA . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.608 HG21 HG12 ' A' ' 10' ' ' ILE . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 71' ' ' LEU . 17.0 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 81' ' ' VAL . 23.3 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.757 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.757 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.738 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.712 ' H ' HG22 ' A' ' 45' ' ' THR . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ARG . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 64' ' ' LEU . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' H ' ' CD1' ' A' ' 59' ' ' LEU . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 40.1 p-80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.746 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 90' ' ' ALA . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.49 ' HE2' ' HB2' ' A' ' 40' ' ' LEU . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.48 HG21 HG12 ' A' ' 10' ' ' ILE . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' THR . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.746 HG11 ' C ' ' A' ' 70' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.786 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG12 HG21 ' A' ' 81' ' ' VAL . 54.9 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 69' ' ' VAL . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.706 ' H ' HG22 ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 51' ' ' SER . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB2' HD22 ' A' ' 47' ' ' LEU . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HD2' ' NE2' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 64' ' ' LEU . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' NE2' ' HD2' ' A' ' 55' ' ' ARG . 51.9 p-80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 19' ' ' ILE . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' C ' HG11 ' A' ' 96' ' ' VAL . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 90' ' ' ALA . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HG12 ' A' ' 10' ' ' ILE . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' THR . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.781 ' HB3' HD11 ' A' ' 71' ' ' LEU . 15.2 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.867 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 23' ' ' ARG . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HA ' HG23 ' A' ' 69' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 19' ' ' ILE . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CE3' HD22 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.604 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD22 ' OG ' ' A' ' 51' ' ' SER . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.857 ' OG ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ARG . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 64' ' ' LEU . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.83 HD22 ' CE3' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 21' ' ' GLU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 ' C ' HG11 ' A' ' 96' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 96' ' ' VAL . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.604 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 71' ' ' LEU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' HD21 ' A' ' 71' ' ' LEU . 5.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 25' ' ' ALA . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' HD11 ' A' ' 19' ' ' ILE . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.752 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.662 ' H ' HG22 ' A' ' 45' ' ' THR . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' HD22 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 64' ' ' LEU . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 58' ' ' VAL . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 44.9 p-80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.653 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 98' ' ' SER . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.653 HG11 ' C ' ' A' ' 70' ' ' LEU . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.588 ' HB2' HD11 ' A' ' 71' ' ' LEU . 21.8 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.539 HG23 HG21 ' A' ' 69' ' ' VAL . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' HG12 ' A' ' 96' ' ' VAL . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.788 ' CD2' HD22 ' A' ' 64' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.675 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 41' ' ' LEU . 2.6 p30 -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.634 ' H ' HG22 ' A' ' 45' ' ' THR . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD12 HG21 ' A' ' 56' ' ' ILE . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' LEU . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 HG23 ' A' ' 19' ' ' ILE . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 98' ' ' SER . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.704 HG12 HD21 ' A' ' 83' ' ' ASN . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.704 HD21 HG12 ' A' ' 81' ' ' VAL . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 21' ' ' GLU . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.547 ' HB2' HD21 ' A' ' 71' ' ' LEU . 7.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 69' ' ' VAL . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' A' ' 96' ' ' VAL . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.777 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HD2' HG11 ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.777 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.61 ' N ' HG22 ' A' ' 45' ' ' THR . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 56' ' ' ILE . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 47' ' ' LEU . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 55.4 p-80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 19' ' ' ILE . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 90' ' ' ALA . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.596 ' CE ' HG21 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.715 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.715 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 78' ' ' THR . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 21' ' ' GLU . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.483 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 23' ' ' ARG . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 19' ' ' ILE . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' HG11 ' A' ' 46' ' ' VAL . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CD2' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 40' ' ' LEU . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.89 HD22 ' OG ' ' A' ' 51' ' ' SER . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.89 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HG3' ' CE1' ' A' ' 68' ' ' HIS . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.657 ' CG2' HD11 ' A' ' 64' ' ' LEU . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.474 ' CE1' ' HG3' ' A' ' 55' ' ' ARG . 42.6 p-80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.865 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.503 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 78' ' ' THR . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.865 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 48.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 81' ' ' VAL . 79.1 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.721 ' CD2' HD22 ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' HD23 ' A' ' 41' ' ' LEU . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.603 HG11 ' CE ' ' A' ' 80' ' ' MET . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 56' ' ' ILE . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.546 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 47' ' ' LEU . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' CD2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 42.3 p-80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 19' ' ' ILE . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 98' ' ' SER . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.603 ' CE ' HG11 ' A' ' 46' ' ' VAL . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 10' ' ' ILE . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 71' ' ' LEU . 31.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 81' ' ' VAL . 5.5 mm . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.789 HD13 ' HB2' ' A' ' 25' ' ' ALA . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 63' ' ' THR . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.72 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.732 ' H ' HG22 ' A' ' 45' ' ' THR . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG21 ' A' ' 56' ' ' ILE . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 47' ' ' LEU . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 64' ' ' LEU . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 27' ' ' LEU . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 43.7 p-80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 19' ' ' ILE . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' HG11 ' A' ' 96' ' ' VAL . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' HD1' ' A' ' 93' ' ' TYR . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.719 HG21 ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' ASP . 31.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CB ' HD11 ' A' ' 19' ' ' ILE . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.961 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.961 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HA ' HG22 ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.581 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.604 HG22 ' N ' ' A' ' 46' ' ' VAL . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.604 ' N ' HG22 ' A' ' 45' ' ' THR . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD12 HG21 ' A' ' 56' ' ' ILE . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 47' ' ' LEU . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 64' ' ' LEU . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 31.8 p-80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 96' ' ' VAL . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' HD2' ' A' ' 93' ' ' TYR . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HD2' HG22 ' A' ' 76' ' ' VAL . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 30' ' ' ARG . 28.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 25' ' ' ALA . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' HG12 ' A' ' 96' ' ' VAL . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 19' ' ' ILE . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 63' ' ' THR . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.733 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 56' ' ' ILE . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 47' ' ' LEU . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 64' ' ' LEU . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' LEU . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 48.5 p-80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG21 HG23 ' A' ' 19' ' ' ILE . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 96' ' ' VAL . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.411 ' CE ' HG21 ' A' ' 46' ' ' VAL . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 71' ' ' LEU . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 25' ' ' ALA . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HG12 ' A' ' 96' ' ' VAL . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HG2' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CD1' HD13 ' A' ' 64' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.731 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 45' ' ' THR . 2.2 p-10 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 46' ' ' VAL . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 45' ' ' THR . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' HD11 ' A' ' 64' ' ' LEU . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.748 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 90' ' ' ALA . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.583 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG21 HG12 ' A' ' 10' ' ' ILE . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' THR . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 21' ' ' GLU . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.881 HG12 HG21 ' A' ' 81' ' ' VAL . 71.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 69' ' ' VAL . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 63' ' ' THR . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' VAL . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 31' ' ' THR . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 78' ' ' THR . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.657 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.687 ' H ' HG22 ' A' ' 45' ' ' THR . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' HD22 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 63' ' ' THR . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 56' ' ' ILE . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.654 HG21 HG23 ' A' ' 19' ' ' ILE . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' C ' HG11 ' A' ' 96' ' ' VAL . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' N ' ' A' ' 98' ' ' SER . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 92' ' ' ALA . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 40' ' ' LEU . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 40' ' ' LEU . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.881 HG21 HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HD2' HG22 ' A' ' 76' ' ' VAL . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.522 HG11 ' C ' ' A' ' 70' ' ' LEU . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.523 ' N ' HD21 ' A' ' 71' ' ' LEU . 6.4 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.63 HG12 HG21 ' A' ' 81' ' ' VAL . 62.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.479 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.558 HG21 HG22 ' A' ' 37' ' ' VAL . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 31' ' ' THR . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.857 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' H ' HG22 ' A' ' 45' ' ' THR . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 56' ' ' ILE . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB2' HD22 ' A' ' 47' ' ' LEU . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.721 ' CG2' HD11 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 63' ' ' THR . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 27' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD11 ' CG2' ' A' ' 56' ' ' ILE . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 56.8 p-80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 19' ' ' ILE . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' HD2' ' A' ' 93' ' ' TYR . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HD12 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 10' ' ' ILE . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 76' ' ' VAL . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -97.31 169.25 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -61.66 154.34 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.09 -157.0 21.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -116.78 -40.54 3.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -61.98 -52.7 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.54 -157.26 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.97 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -92.88 39.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 HG21 ' A' ' 81' ' ' VAL . 80.4 mt -128.47 88.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mmt -44.63 -35.34 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 4.5 t70 -139.27 126.45 21.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.33 29.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.572 0.701 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.62 59.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -142.57 154.34 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.48 126.76 2.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.6 tp -124.13 145.38 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -119.49 116.36 25.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 25' ' ' ALA . 20.1 tt -138.85 162.46 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -90.29 160.58 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' HG12 ' A' ' 96' ' ' VAL . 13.9 tt0 -72.19 127.53 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.79 31.84 9.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -131.97 165.48 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.319 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.9 ttt -86.34 121.15 28.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.762 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.94 163.92 18.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -153.74 146.02 23.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.877 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.6 mt -107.65 114.43 28.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -60.46 108.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.0 t -153.17 125.62 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.27 133.93 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.1 p -127.33 144.98 52.67 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.532 0.682 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.77 18.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.17 66.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.8 mtp 54.81 54.04 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -143.32 150.75 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 m -93.76 110.69 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.42 133.77 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -145.14 -177.31 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.877 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 61.6 m95 -148.44 126.79 12.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.0 tt -97.37 133.28 42.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -94.0 150.34 38.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.617 0.722 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.79 0.59 41.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.22 60.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.2 m -167.0 173.83 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.127 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.678 ' H ' HG22 ' A' ' 45' ' ' THR . 94.1 t -149.55 139.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD22 ' OG ' ' A' ' 51' ' ' SER . 66.4 mt -119.22 161.38 20.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' HIS . 12.4 p -154.8 168.28 27.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.0 t60 -34.96 -50.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -49.9 -55.19 15.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.855 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.2 t -35.4 143.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -108.41 19.78 19.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -52.92 130.56 48.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.579 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 9.0 mtp-105 -71.81 -67.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.508 ' CG2' HD11 ' A' ' 64' ' ' LEU . 16.0 mt -71.38 99.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -114.18 122.92 48.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.59 104.55 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.47 166.91 13.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -52.26 -68.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -38.61 -37.98 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.5 29.53 1.72 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.1 m -95.06 140.94 29.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.5 tp -98.31 102.2 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -91.69 147.78 22.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 57.1 m-85 -128.34 101.5 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.5 m -45.05 -37.29 4.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 20.7 p-80 -168.55 104.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG21 HG23 ' A' ' 19' ' ' ILE . 28.6 m -69.02 146.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.89 157.36 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 98' ' ' SER . 65.4 mt -55.85 -23.53 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 m -85.36 -18.38 33.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -76.69 -18.91 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -54.52 128.46 32.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.75 -139.69 5.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.432 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.04 130.92 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.43 146.78 36.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ALA . 87.8 m -129.5 124.62 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.5 t -96.32 118.98 33.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.0 mtt -92.27 137.45 32.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.598 HG21 HG12 ' A' ' 10' ' ' ILE . 46.0 t -132.2 112.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -118.37 123.72 45.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 84' ' ' VAL . 44.6 t-20 -135.43 148.29 49.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 7.2 p -51.21 -18.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.28 -50.03 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.67 -178.57 33.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -133.16 134.78 44.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 m -151.67 159.43 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.16 154.94 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 78' ' ' THR . . . -128.94 167.45 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p -133.54 162.72 31.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.44 154.6 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -109.43 143.49 38.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.66 118.64 26.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -98.46 129.23 45.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 21' ' ' GLU . 44.5 t -121.99 109.95 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -102.63 128.04 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.823 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.6 p -64.16 134.51 54.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.14 163.0 34.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 t -114.95 42.59 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -137.34 166.45 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t 52.28 42.27 30.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -95.28 149.43 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.66 -167.67 36.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -38.06 108.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -68.91 109.59 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.95 81.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -178.77 2.51 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -78.53 46.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -134.81 92.28 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 mmt -43.94 -39.94 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -136.15 124.48 23.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.58 143.68 27.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.77 159.26 54.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -140.29 160.11 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -42.88 136.62 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -135.62 142.37 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.68 106.71 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.651 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.8 tt -123.88 157.23 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -84.58 153.78 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.64 138.25 58.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.8 36.12 37.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -134.3 167.41 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 ttt -87.22 124.31 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.55 165.87 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 64.6 mt-10 -159.95 144.7 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.4 mt -109.68 116.15 31.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -62.69 107.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.5 t -147.37 125.15 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -119.65 131.23 55.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 p -127.59 143.94 49.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.03 17.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 158.37 57.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.299 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.7 mtp 63.42 33.05 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -130.17 145.25 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -91.07 132.49 35.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.9 130.55 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' CE ' ' HB3' ' A' ' 48' ' ' SER . 9.5 mmtp -142.09 147.37 36.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 64' ' ' LEU . 69.1 m95 -137.16 108.3 6.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -83.58 141.41 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.767 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.51 153.45 37.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 45' ' ' THR . 1.8 p-10 -101.83 -12.66 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.71 -36.37 3.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.698 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -70.34 174.48 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.356 . . . . 0.0 111.151 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.698 ' H ' HG22 ' A' ' 45' ' ' THR . 7.3 p -156.02 132.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 56' ' ' ILE . 83.6 mt -108.32 170.65 7.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.478 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 60.1 p -156.89 -176.57 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -54.78 -30.53 57.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -54.39 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.0 p -37.62 146.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -109.96 21.78 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -48.81 131.88 14.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -51.51 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -73.88 -66.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' A' ' 64' ' ' LEU . 56.2 mt -71.09 93.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.6 m -101.58 130.71 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -103.56 88.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.41 146.52 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -44.84 -58.08 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.78 -43.49 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.99 41.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.4 m -115.84 137.45 52.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.682 HD22 ' CE3' ' A' ' 39' ' ' TRP . 12.2 tp -94.97 102.2 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -91.25 151.61 20.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' SER . 39.6 m-85 -133.91 89.44 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' PHE . 30.7 t -34.95 -46.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 53.3 p-80 -157.79 106.52 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HG23 ' A' ' 19' ' ' ILE . 19.5 m -70.83 165.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -137.04 155.98 48.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 98' ' ' SER . 78.3 mt -52.71 -27.42 17.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -80.25 -30.01 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 49.4 m-20 -63.74 -17.51 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.8 m -55.93 123.6 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.3 -156.31 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 t -111.22 127.99 67.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -111.05 127.42 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.0 m -116.48 123.62 47.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 33.7 t -88.5 142.77 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.576 ' CE ' HG21 ' A' ' 46' ' ' VAL . 33.6 mtm -118.91 140.39 50.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.9 110.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.98 116.77 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -131.82 174.41 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.34 -26.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.84 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.404 ' C ' ' OD1' ' A' ' 87' ' ' ASN . . . -160.56 -169.44 23.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' GLY . 4.2 m-20 -134.07 121.77 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.5 p -122.86 162.61 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -155.63 147.42 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.14 175.34 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.0 m -139.5 154.64 47.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.41 126.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -91.42 131.42 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -104.44 132.29 50.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' C ' ' ND2' ' A' ' 95' ' ' ASN . 0.4 OUTLIER -110.34 125.68 53.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.537 ' N ' HD22 ' A' ' 95' ' ' ASN . 17.6 t -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -123.92 131.05 53.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' N ' HD21 ' A' ' 71' ' ' LEU . 19.9 p -53.67 142.75 22.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.83 158.12 38.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -28.93 24.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 100.0 p -66.2 166.4 12.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -75.93 -48.38 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -93.17 166.04 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -128.1 176.1 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 -172.92 43.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -122.29 46.27 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -52.79 133.43 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.3 85.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 61.6 m-85 -107.14 48.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG22 ' C ' ' A' ' 12' ' ' ASP . 74.1 mt -130.24 83.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.8 mmt -34.37 -33.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' C ' HG22 ' A' ' 10' ' ' ILE . 4.6 t70 -150.76 126.15 10.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.96 25.65 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.539 0.685 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.77 158.24 57.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 16' ' ' ASP . 11.1 ttt180 -142.41 154.3 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -34.5 143.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 94' ' ' LEU . 12.4 tp -140.7 132.34 27.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -116.39 107.82 15.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.0 tt -131.35 155.03 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -82.76 166.82 18.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -73.09 144.26 47.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.74 33.7 66.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -130.44 169.65 15.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -89.6 122.43 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.31 149.44 48.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' HD22 ' A' ' 65' ' ' ASN . 75.8 mt-10 -142.77 150.64 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.6 mt -110.64 113.61 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -58.23 100.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.8 t -148.2 125.09 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.51 131.17 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 63.1 p -124.3 151.1 65.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.547 0.689 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 165.94 29.28 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.325 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.23 66.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.0 mtp 63.23 45.49 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -132.62 170.22 15.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -109.6 115.84 30.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 p -112.03 119.63 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -129.24 160.34 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CD1' HD13 ' A' ' 64' ' ' LEU . 79.9 m95 -131.73 103.48 6.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.745 HD12 ' HE2' ' A' ' 80' ' ' MET . 4.7 tt -79.5 125.25 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -82.8 152.94 67.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.604 0.716 . . . . 0.0 110.98 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.02 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.384 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -2.35 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.36 -20.15 35.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.0 m -83.23 174.23 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.696 ' H ' HG22 ' A' ' 45' ' ' THR . 7.7 p -158.4 124.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.2 -179.69 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -169.64 179.09 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -45.04 -42.0 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -58.43 -60.26 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' ALA . 71.7 m -36.08 153.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -119.06 18.78 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -40.66 132.85 1.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -51.59 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' NE ' HD21 ' A' ' 70' ' ' LEU . 6.7 mtm105 -74.45 -66.49 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.706 ' CG2' HD11 ' A' ' 64' ' ' LEU . 15.2 mt -68.98 96.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 t -105.19 123.13 47.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.97 92.83 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.4 mp -57.28 141.84 45.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -37.61 -59.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -43.82 -39.63 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 124.83 32.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' LEU . 44.9 m -104.22 152.86 21.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' CD1' ' A' ' 39' ' ' TRP . 10.2 tp -110.58 105.77 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 21.6 t-20 -95.69 158.06 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' HG12 ' A' ' 56' ' ' ILE . 15.1 m-85 -140.56 105.15 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -49.51 -42.25 43.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.57 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.6 p-80 -158.68 109.25 2.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 19' ' ' ILE . 35.5 m -84.39 139.39 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.808 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -109.16 171.89 7.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 98' ' ' SER . 26.8 mt -63.84 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -71.97 -31.44 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.42 -20.5 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.7 m -53.78 122.83 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.58 -152.76 14.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 128.51 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -112.53 129.06 56.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.9 m -114.41 123.85 50.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.5 t -95.49 134.48 38.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.745 ' HE2' HD12 ' A' ' 40' ' ' LEU . 7.4 mtt -105.97 139.21 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 HG12 ' A' ' 10' ' ' ILE . 53.9 t -138.92 110.1 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 m -123.13 133.88 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -139.35 170.44 15.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.23 -24.64 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -83.4 -53.42 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.52 -167.58 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -139.04 159.58 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -169.94 154.71 5.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -145.72 152.72 40.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -132.02 168.35 18.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.7 m -130.54 158.11 40.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.35 134.52 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.28 144.96 25.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 17' ' ' LEU . 12.7 tp -125.79 112.98 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -94.64 124.63 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.808 HG11 ' C ' ' A' ' 70' ' ' LEU . 33.7 t -119.71 108.47 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.0 m -112.39 140.57 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 71' ' ' LEU . 33.9 p -46.96 144.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.1 162.29 30.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.32 7.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -90.49 128.55 36.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.1 p -110.62 -47.86 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -130.82 157.59 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -67.66 118.09 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.81 -50.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -100.7 -47.9 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -53.32 -59.73 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.55 79.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 22.1 m-85 -119.65 43.11 2.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -130.04 85.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.7 mtm -40.78 -60.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 3.3 m-20 -121.2 125.39 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.59 147.35 33.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 16' ' ' ASP . 6.3 tmm_? -138.31 145.27 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -34.51 125.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 tp -113.82 148.78 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -125.82 108.21 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.505 HG23 HG21 ' A' ' 69' ' ' VAL . 17.8 tt -134.19 164.97 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 7.9 t -90.14 167.04 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 96' ' ' VAL . 28.6 tt0 -76.51 123.85 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.94 31.34 8.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -130.86 167.88 18.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ttt -87.47 129.6 35.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -132.1 161.93 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -149.33 154.86 39.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 6.4 mt -115.26 114.68 25.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -59.48 112.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -152.71 127.2 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -126.99 120.53 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 37' ' ' VAL . 44.7 p -122.55 150.59 58.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.75 20.6 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 159.51 53.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtt 57.12 44.44 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' OG ' ' ND2' ' A' ' 83' ' ' ASN . 1.8 m -135.35 155.71 50.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 m -99.28 118.61 36.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 31' ' ' THR . 99.4 t -104.83 132.39 51.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -143.44 172.96 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.667 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 72.5 m95 -148.52 133.76 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD23 ' N ' ' A' ' 41' ' ' LEU . 6.9 tt -101.06 149.63 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -110.39 152.4 43.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 3.44 2.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.1 -11.86 20.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.11 60.28 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 46' ' ' VAL . 11.8 m -165.98 168.52 15.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.593 ' N ' HG22 ' A' ' 45' ' ' THR . 25.5 t -144.63 146.47 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 56' ' ' ILE . 93.7 mt -117.91 174.92 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -163.65 175.84 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -53.74 -20.91 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.0 -51.97 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -47.01 140.99 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -104.8 32.93 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -58.45 130.31 84.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -71.3 -68.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 47' ' ' LEU . 85.5 mt -73.2 94.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -106.11 117.98 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 64' ' ' LEU . 57.1 t -84.11 96.3 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.83 156.74 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.83 -48.4 79.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.25 -32.12 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.04 20.47 3.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 17.2 m -97.01 154.05 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.1 tp -112.12 103.17 11.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.32 152.79 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.2 m-85 -132.64 106.4 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -46.24 -53.86 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' HD2' HD21 ' A' ' 70' ' ' LEU . 51.1 p-80 -151.88 106.15 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG21 HG23 ' A' ' 19' ' ' ILE . 33.9 m -70.07 152.66 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 68' ' ' HIS . 1.1 mt -130.62 165.3 23.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.8 -20.52 57.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -84.82 -14.14 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.53 -13.18 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -60.96 130.2 45.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.93 -139.6 6.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.544 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.22 131.07 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -110.35 133.58 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 m -117.76 118.69 32.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 52.2 t -90.37 133.8 34.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.593 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.6 mtt -106.6 142.62 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.4 t -138.7 111.92 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -118.3 135.05 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' ND2' ' OG ' ' A' ' 35' ' ' SER . 5.7 t-20 -142.97 172.7 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.3 p -76.83 -16.8 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -95.05 -46.93 6.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -161.25 178.73 37.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -132.9 156.8 46.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -167.71 166.48 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -155.44 159.52 39.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.48 164.6 27.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -128.56 166.35 19.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.2 150.12 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -107.81 140.17 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.47 115.78 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -97.89 126.09 43.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 21' ' ' GLU . 43.2 t -116.42 110.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -99.65 137.42 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.3 m -57.21 156.87 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.91 160.62 23.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -42.4 109.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.3 m -102.17 -61.14 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -134.13 165.12 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -51.0 135.85 24.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.22 -101.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -73.68 90.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p 38.56 33.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.1 -94.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -175.31 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.313 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 20.8 m-85 -108.0 40.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 81' ' ' VAL . 53.1 mt -123.98 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' ILE . 7.1 mmt -34.34 -51.39 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -133.16 124.61 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.51 143.92 27.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.594 0.712 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 67.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.332 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -130.42 158.29 40.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.6 128.36 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.9 tp -119.37 144.07 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -123.18 107.89 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 25' ' ' ALA . 7.6 tt -132.63 148.45 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.8 m -74.44 167.63 21.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -74.08 145.83 44.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.38 38.92 87.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.51 167.47 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 ttt -86.09 125.73 33.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -120.86 167.07 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -158.9 144.11 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 7.7 mt -108.15 109.93 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -57.71 104.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 t -148.2 125.19 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -118.88 126.09 51.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.8 p -123.73 147.77 54.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.74 23.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.87 65.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtp 63.32 46.66 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 m -134.8 155.61 50.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.0 t -93.18 125.39 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -110.24 122.37 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -135.97 161.2 36.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 81.4 m95 -140.23 115.3 9.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.6 tt -84.66 142.08 30.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.0 mm? -99.62 152.75 37.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.23 2.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.21 -13.93 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.59 -38.09 2.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 46' ' ' VAL . 3.5 m -70.34 171.83 9.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 111.107 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.659 ' H ' HG22 ' A' ' 45' ' ' THR . 7.5 p -153.8 128.46 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 56' ' ' ILE . 56.3 mt -99.58 171.09 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -159.26 169.77 23.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -39.92 -31.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.62 -54.93 10.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' ALA . 41.5 p -34.05 143.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -105.85 15.68 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -42.44 133.34 2.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.613 0.721 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.81 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 15.3 mtm105 -75.1 -66.07 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' CG2' HD11 ' A' ' 64' ' ' LEU . 74.8 mt -70.09 91.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.8 p -104.4 123.15 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.84 97.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.1 mp -58.28 154.7 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.35 -56.76 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -46.59 -34.51 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.59 37.31 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 m -108.28 151.54 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.694 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.0 tp -108.81 99.19 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -92.52 147.01 23.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.0 m-85 -126.47 109.76 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t -51.34 -45.52 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.714 ' HD2' HD11 ' A' ' 70' ' ' LEU . 56.8 p-80 -159.55 107.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG21 HG23 ' A' ' 19' ' ' ILE . 21.4 m -84.08 137.37 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.746 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -109.65 171.32 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 96' ' ' VAL . 43.8 mt -58.6 -28.55 65.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -74.73 -33.76 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.6 -20.62 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.5 m -54.14 127.01 25.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.81 -142.53 7.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.54 132.48 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -114.65 140.72 48.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 m -120.28 125.63 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 29.2 t -97.02 126.92 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.643 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.3 mtt -101.73 143.16 32.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.594 HG21 HG12 ' A' ' 10' ' ' ILE . 17.6 t -138.83 110.91 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 124.02 42.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -140.54 171.82 13.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.8 -34.98 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.542 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -69.99 -47.24 62.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.23 -178.66 41.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -124.97 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 p -162.3 164.14 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -151.64 165.13 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.77 164.75 37.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.3 m -139.12 160.47 39.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.39 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -93.41 133.35 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 tp -110.65 130.23 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -110.01 124.25 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.694 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.5 t -120.45 110.38 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -97.94 150.59 21.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 71' ' ' LEU . 1.5 t -88.68 139.43 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.92 168.24 48.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 101.59 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -59.47 -59.27 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 t -93.84 -56.06 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -158.5 122.84 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -74.14 110.22 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.71 -52.9 0.78 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -168.2 159.0 10.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -156.73 140.43 16.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.93 -174.06 26.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -173.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 83.6 m-85 -101.9 40.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 81' ' ' VAL . 14.1 mt -125.92 91.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptp -51.08 -40.37 58.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -126.9 112.06 14.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.42 143.98 27.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.586 0.708 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.74 157.27 60.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.76 2.306 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -133.68 162.47 31.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.01 127.72 10.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -123.14 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -112.75 109.74 19.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.619 HG23 HG21 ' A' ' 69' ' ' VAL . 15.7 tt -128.83 158.88 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.6 m -85.28 159.73 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.13 134.12 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.96 42.06 17.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -137.44 166.69 23.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 ttt -87.67 125.72 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.4 170.44 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 25' ' ' ALA . 41.0 mt-10 -160.41 147.47 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.012 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 21.7 mt -108.78 112.6 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 104.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.69 125.68 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -122.59 136.86 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 p -124.16 152.07 66.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.5 69.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 62.39 38.72 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.0 p -132.64 142.37 49.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -83.39 131.07 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.22 124.5 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -141.44 162.78 34.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 1.012 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.3 m95 -139.62 133.2 30.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.2 tt -102.71 149.69 24.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -106.25 152.99 40.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.61 0.719 . . . . 0.0 110.921 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.26 2.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.2 -41.58 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.45 40.44 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 46' ' ' VAL . 8.6 m -145.51 169.42 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.585 ' N ' HG22 ' A' ' 45' ' ' THR . 85.4 t -146.19 125.3 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 51' ' ' SER . 60.6 mt -100.43 153.54 19.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' HIS . 66.2 p -140.58 161.5 37.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 48' ' ' SER . 65.1 t60 -34.14 -43.58 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -56.76 -50.7 71.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 47' ' ' LEU . 45.1 p -35.56 150.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -114.47 21.32 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -55.86 131.32 73.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.523 0.678 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 16.6 mtm105 -73.42 -66.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG21 HD12 ' A' ' 47' ' ' LEU . 28.4 mt -70.91 95.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.7 m -111.79 128.6 56.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.08 94.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.99 156.24 7.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -49.46 -62.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -40.2 -42.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.23 38.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 27' ' ' LEU . 98.3 m -111.61 144.76 40.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.594 ' HB3' HD12 ' A' ' 27' ' ' LEU . 11.9 tp -99.42 103.46 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -90.97 139.89 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 38.9 m-85 -120.41 101.94 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -43.93 -54.24 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 55.1 p-80 -153.55 105.02 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG21 HG23 ' A' ' 19' ' ' ILE . 25.1 m -67.63 152.3 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 mt -125.16 158.89 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 98' ' ' SER . 76.3 mt -55.3 -23.65 24.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -85.25 -16.82 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -78.25 -19.44 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.5 m -52.98 129.21 29.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.19 -137.2 4.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -134.1 130.32 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -111.42 137.7 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 90' ' ' ALA . 34.0 m -123.17 125.83 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.9 t -95.84 131.24 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.6 mtt -97.43 146.2 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.608 HG21 HG12 ' A' ' 10' ' ' ILE . 40.2 t -136.24 114.74 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -113.17 124.0 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.81 153.41 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.42 -20.18 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -84.85 -44.01 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.6 -163.95 28.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -137.17 139.05 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -146.97 161.64 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -157.96 145.76 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 78' ' ' THR . . . -120.09 165.17 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m -125.56 163.45 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.42 134.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -91.0 144.58 25.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tp -124.76 115.85 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -95.69 129.61 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -122.72 113.36 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.8 m -107.05 130.15 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 71' ' ' LEU . 17.0 t -51.21 130.23 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.08 155.04 3.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -132.97 -52.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.4 p -45.7 -51.73 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -172.78 129.29 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -97.45 41.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.82 129.17 8.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -128.89 124.52 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -102.45 158.92 15.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.95 83.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -168.9 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -103.77 39.14 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG12 HG21 ' A' ' 81' ' ' VAL . 23.3 mt -123.57 100.85 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.3 mmt -46.81 -35.93 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.22 120.61 7.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.32 146.05 31.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.83 61.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 22.5 ttp180 -123.73 154.6 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 4.0 p30 -35.58 136.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.6 tp -129.43 129.3 44.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -109.95 111.65 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.757 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.1 tt -135.25 154.94 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -86.6 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.66 133.91 44.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 30.83 33.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -129.72 164.71 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.0 ttt -85.82 128.93 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.757 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -125.85 163.36 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 15.3 mp0 -153.82 146.72 24.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 12.7 mt -111.61 111.88 23.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.55 104.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 t -145.18 124.99 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.52 126.61 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 p -124.45 149.09 60.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.57 0.7 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.14 17.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.19 46.9 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtm 54.87 38.88 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.6 m -130.28 154.78 47.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -96.48 134.99 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.9 122.44 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -134.03 157.03 47.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.778 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 79.4 m95 -138.91 106.47 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.1 tt -83.64 130.07 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.738 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -85.72 152.6 57.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.94 3.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -98.45 -13.13 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 -14.89 13.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -87.83 179.73 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.712 ' H ' HG22 ' A' ' 45' ' ' THR . 12.1 p -165.06 127.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.78 179.44 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.1 t -153.54 -175.51 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 60' ' ' ASN . 40.0 t60 -62.28 -23.01 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.07 -52.44 9.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' ALA . 4.0 p -35.34 140.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' HIS . 36.2 ttt180 -100.28 6.12 44.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ARG . 19.1 t-80 -34.21 129.33 0.44 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.807 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -51.96 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 8.7 mtp-105 -69.31 -69.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 64' ' ' LEU . 39.5 mt -74.21 96.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -104.94 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.2 t -88.01 85.9 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' H ' ' CD1' ' A' ' 59' ' ' LEU . 7.3 mp -48.72 147.05 2.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' HA ' ' CE1' ' A' ' 49' ' ' HIS . 4.2 m120 -50.39 -50.17 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.57 -24.06 2.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.71 29.48 4.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.8 m -106.76 145.46 32.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.4 tp -103.97 100.83 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -93.72 138.98 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 56' ' ' ILE . 10.2 m-85 -121.62 94.27 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.3 m -36.53 -48.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 40.1 p-80 -155.01 106.49 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 ' C ' HD12 ' A' ' 70' ' ' LEU . 15.8 m -79.6 146.69 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.746 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.6 mp -111.22 171.3 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 98' ' ' SER . 79.0 mt -65.34 -52.29 54.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -52.45 -32.18 38.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 86.6 m-20 -59.83 -25.37 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.0 m -42.84 121.51 2.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.58 -153.9 19.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 t -118.41 131.7 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -109.39 136.02 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 90' ' ' ALA . 13.1 m -113.94 127.13 55.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 49.6 t -102.87 121.88 43.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.49 ' HE2' ' HB2' ' A' ' 40' ' ' LEU . 12.2 mtt -93.94 146.15 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.48 HG21 HG12 ' A' ' 10' ' ' ILE . 18.0 t -138.37 123.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -126.56 128.2 46.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -140.29 151.56 45.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.91 -33.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.27 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.13 -155.53 8.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -136.81 161.17 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.3 p -169.22 148.9 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -136.36 159.37 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' THR . . . -134.42 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 m -144.59 162.47 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.3 136.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -90.69 137.42 32.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -118.08 109.61 16.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -90.06 127.15 36.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.746 HG11 ' C ' ' A' ' 70' ' ' LEU . 21.5 t -121.64 114.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -102.73 143.26 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.786 ' HB3' HD11 ' A' ' 71' ' ' LEU . 24.5 p -69.64 120.0 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -45.82 166.16 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.51 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.246 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -72.06 146.73 47.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 m -85.54 155.73 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -46.01 163.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -144.91 132.5 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.64 129.11 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -125.26 -11.3 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -132.63 125.67 30.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.24 68.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.59 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -57.01 -33.72 67.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG12 HG21 ' A' ' 81' ' ' VAL . 54.9 mt -57.41 100.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 mmt -61.45 -24.83 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' CB ' ' HB2' ' A' ' 30' ' ' ARG . 13.3 t0 -148.1 131.01 16.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.72 145.85 32.83 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 139.47 40.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -119.27 151.69 37.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -38.77 144.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -141.02 138.47 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.54 113.74 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 69' ' ' VAL . 14.8 tt -135.96 159.64 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -82.37 169.63 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -82.19 128.82 34.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.92 33.84 7.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -136.61 171.59 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.406 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 2.5 ttt -87.34 138.78 31.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -140.06 160.93 38.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -150.28 157.41 43.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 33.5 mt -122.5 112.16 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -55.36 120.02 6.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.6 p -153.35 128.43 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 19.5 mmt180 -127.29 121.05 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.0 p -122.63 151.94 61.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 170.0 17.55 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 157.44 60.43 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 18.3 mtt 58.74 39.43 24.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 m -128.87 164.42 23.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -106.9 136.82 46.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -108.84 119.96 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -133.43 154.43 50.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.4 m95 -135.63 121.3 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 41' ' ' LEU . 4.5 tt -90.2 146.36 24.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -107.72 151.16 40.99 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.961 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.01 3.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.24 -17.06 18.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.34 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.9 m -167.18 174.79 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.102 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.706 ' H ' HG22 ' A' ' 45' ' ' THR . 70.3 t -149.29 141.94 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 51' ' ' SER . 98.2 mt -119.53 160.52 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ALA . 30.8 p -147.34 168.89 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -42.93 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -77.37 -49.38 15.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB2' HD22 ' A' ' 47' ' ' LEU . 56.9 p -34.26 145.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -106.96 15.02 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -50.1 130.29 23.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.65 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HD2' ' NE2' ' A' ' 68' ' ' HIS . 16.4 mtp180 -71.12 -68.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG22 HD11 ' A' ' 64' ' ' LEU . 9.9 mt -70.52 104.14 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -116.26 124.98 51.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' ' 64' ' ' LEU . 94.9 t -89.56 93.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 mt -47.38 143.88 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -40.56 -45.14 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -62.66 -35.32 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 133.97 -19.57 4.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.1 m -56.3 134.69 53.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 111.148 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 ' CD1' ' A' ' 39' ' ' TRP . 12.1 tp -95.82 104.43 16.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 9.5 t-20 -91.06 154.44 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 9.5 m-85 -132.44 103.22 6.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.1 t -42.49 -56.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' NE2' ' HD2' ' A' ' 55' ' ' ARG . 51.9 p-80 -149.29 105.03 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 19' ' ' ILE . 27.0 m -71.47 144.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' C ' HG11 ' A' ' 96' ' ' VAL . 10.8 mt -118.58 155.14 31.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 98' ' ' SER . 85.3 mt -46.63 -39.6 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -64.82 -35.69 81.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.37 -26.02 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 82.1 m -50.26 126.17 14.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 170.79 -144.65 8.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.4 t -127.45 126.23 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -106.14 157.13 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 90' ' ' ALA . 58.8 m -136.6 140.23 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -106.09 140.57 38.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 36.1 mtt -114.59 142.79 45.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HG12 ' A' ' 10' ' ' ILE . 58.9 t -138.81 114.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 m -115.77 121.65 43.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' VAL . 23.4 t-20 -143.08 131.59 22.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' ASN . 14.6 p -34.02 -40.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -68.84 -49.96 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ASN . . . -166.59 177.49 41.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -138.16 141.69 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t -144.33 168.69 19.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -152.74 158.85 42.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' THR . . . -136.7 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.6 p -135.75 161.25 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.15 163.51 11.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 58.8 t80 -115.42 160.48 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.5 tp -143.17 107.23 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -88.05 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 71' ' ' LEU . 97.8 t -120.76 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.3 t -103.72 130.85 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.781 ' HB3' HD11 ' A' ' 71' ' ' LEU . 15.2 p -70.2 177.18 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.22 172.55 20.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 112.12 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -135.73 116.77 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 m -42.98 141.37 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -131.39 -44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -165.79 129.51 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.9 -174.61 42.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -118.8 154.45 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -70.6 132.12 44.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 87.68 1.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -174.33 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 42.3 m-85 -63.79 -10.9 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 103.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.0 mmt -57.14 -18.09 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 20.3 t0 -164.83 108.26 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.75 147.03 54.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.534 0.683 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.57 57.35 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.91 156.98 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.28 147.72 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.8 tp -139.15 131.09 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -100.94 108.39 20.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 23' ' ' ARG . 21.0 tt -133.14 164.47 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 19' ' ' ILE . 67.8 m -92.9 161.72 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HA ' HG23 ' A' ' 69' ' ' VAL . 9.2 tt0 -70.41 132.53 45.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.35 15.48 58.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 19' ' ' ILE . 9.5 mtt-85 -113.35 169.08 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 ttt -88.45 125.64 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.02 151.81 43.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -147.71 136.59 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -109.5 109.66 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 135.86 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.98 125.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 73.1 mtm-85 -121.74 126.12 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -124.3 151.31 66.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.616 0.722 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.65 18.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 157.02 61.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.243 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtp 55.53 48.2 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.8 m -132.45 168.16 18.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -108.6 121.0 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.92 122.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CE3' HD22 ' A' ' 64' ' ' LEU . 78.1 m95 -133.71 109.02 8.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 tt -86.09 128.44 34.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -87.8 152.55 51.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.579 0.705 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.74 -0.41 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.45 -31.31 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.1 m -76.23 170.41 16.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 111.107 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.604 HG21 ' CE ' ' A' ' 80' ' ' MET . 7.0 p -152.04 129.7 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD22 ' OG ' ' A' ' 51' ' ' SER . 79.6 mt -103.87 170.52 7.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.8 p -156.34 -178.2 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -49.34 -40.48 35.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -60.78 -55.67 30.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.857 ' OG ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -34.35 138.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.8 ptm85 -103.39 9.36 37.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ARG . 22.0 t-80 -34.14 131.44 0.41 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.61 0.719 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.3 mtm105 -73.45 -66.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 64' ' ' LEU . 51.1 mt -69.85 99.13 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 m -109.19 115.88 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 64' ' ' LEU . 99.0 t -86.0 90.58 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' ASN . 13.5 mt -56.03 144.63 28.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -36.41 -68.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ASN . 7.9 m-20 -34.49 -42.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.31 25.92 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -96.23 140.07 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.83 HD22 ' CE3' ' A' ' 39' ' ' TRP . 10.4 tp -99.07 104.83 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -97.34 149.19 22.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 67' ' ' SER . 5.3 m-85 -127.88 91.64 3.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 66' ' ' PHE . 16.1 t -34.94 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 34.8 p-80 -168.74 109.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 21' ' ' GLU . 27.1 m -70.25 175.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 ' C ' HG11 ' A' ' 96' ' ' VAL . 5.5 mt -149.07 159.55 44.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 96' ' ' VAL . 58.1 mt -62.1 -11.5 14.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.5 m -98.88 -2.83 36.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.68 -9.49 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -57.99 129.66 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 -146.45 10.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.22 124.55 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -101.99 133.38 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 m -112.54 133.29 54.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 p -103.75 129.56 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.604 ' CE ' HG21 ' A' ' 46' ' ' VAL . 7.4 mtm -105.41 132.48 51.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.6 110.57 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -114.98 116.15 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -128.45 148.17 50.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 p -49.38 -31.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -75.8 -49.31 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.427 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.25 -168.17 23.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -138.88 136.34 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 75.7 m -141.37 151.4 43.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -154.12 138.55 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.43 175.37 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.8 m -129.8 173.98 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.86 135.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -90.05 153.59 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.8 tp -139.66 106.57 5.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -89.2 127.77 35.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 71' ' ' LEU . 44.8 t -120.44 115.91 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -110.09 140.38 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.449 ' N ' HD21 ' A' ' 71' ' ' LEU . 5.1 t -49.62 138.83 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.73 156.77 53.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 m -59.31 157.08 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -131.83 175.81 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -129.54 133.92 47.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -118.85 7.61 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 107.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -48.16 -59.0 3.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -113.26 -58.91 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 172.58 23.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.79 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 30.8 m-85 -83.22 17.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 mt -104.0 94.94 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.5 mtm -45.44 -44.15 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.21 120.46 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 143.76 27.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.0 51.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.374 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -137.78 161.25 37.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -45.63 142.2 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 tp -139.16 136.67 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.66 108.54 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 25' ' ' ALA . 8.8 tt -128.43 154.36 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -74.0 163.82 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -75.62 133.89 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.4 29.55 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' HD11 ' A' ' 19' ' ' ILE . 57.3 mtt180 -124.12 166.72 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -85.73 120.3 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.639 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.56 165.88 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -155.99 143.94 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 8.0 mt -107.5 118.06 35.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -62.53 114.35 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.65 128.19 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -130.51 122.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 p -126.56 151.65 73.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.23 22.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.95 67.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 19.5 mtm 66.8 34.58 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -125.19 137.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -83.09 113.19 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -108.29 131.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -139.02 178.89 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.752 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.8 m95 -149.03 116.55 6.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.3 tt -91.83 127.24 37.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -86.99 150.58 50.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.739 2.292 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.8 -10.81 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.3 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.662 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.5 m -159.68 172.78 17.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.662 ' H ' HG22 ' A' ' 45' ' ' THR . 83.2 t -146.84 131.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 51' ' ' SER . 59.8 mt -114.3 154.98 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -146.88 -178.41 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -55.7 -24.18 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.94 -45.36 42.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' HD22 ' A' ' 47' ' ' LEU . 43.6 p -46.87 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -124.78 4.22 8.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 57.4 t-80 -36.02 139.11 0.42 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.1 Cg_endo -69.71 -90.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 4.3 mtm105 -40.21 -63.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 66' ' ' PHE . 54.4 mt -73.75 119.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 m -138.6 122.3 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 64' ' ' LEU . 59.9 t -88.67 102.71 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.17 153.8 36.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -46.44 -56.83 5.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.73 -38.58 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 20.23 2.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.3 m -96.15 133.9 39.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 58' ' ' VAL . 12.7 tp -94.22 108.34 20.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -97.64 149.13 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 56' ' ' ILE . 12.3 m-85 -129.12 97.95 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.6 t -42.11 -40.17 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 44.9 p-80 -165.39 106.19 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.76 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.653 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -145.12 162.6 36.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 98' ' ' SER . 85.0 mt -60.96 -16.97 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -91.09 -4.09 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.05 -8.68 29.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 86.8 m -60.62 129.93 44.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.54 -138.36 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -133.35 127.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -106.15 129.49 54.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -105.17 129.74 53.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.3 t -102.73 109.48 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.8 mtt -86.15 141.76 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 t -136.74 115.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -120.91 122.97 41.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -132.32 158.48 41.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.17 -12.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.78 -48.41 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -157.75 176.32 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -125.23 157.88 35.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 73.5 p -167.45 164.07 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -153.89 158.56 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.28 163.06 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p -129.79 161.2 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.11 132.78 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -96.7 136.26 37.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.53 127.44 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 96' ' ' VAL . 0.7 OUTLIER -105.7 122.31 45.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.653 HG11 ' C ' ' A' ' 70' ' ' LEU . 65.6 t -118.76 130.61 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 t -123.42 159.38 29.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.588 ' HB2' HD11 ' A' ' 71' ' ' LEU . 21.8 t -88.73 134.02 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.38 155.39 28.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.17 28.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.2 p -164.33 131.13 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m 49.21 32.98 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -114.34 -33.95 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -78.54 157.51 28.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.82 -84.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m 59.9 46.07 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -134.77 107.24 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.67 72.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 63.8 m-85 -100.06 41.34 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mt -125.14 102.52 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.9 mmt -49.7 -51.9 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -134.19 116.23 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.04 145.01 35.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.699 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.8 156.55 62.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.0 ttt180 -136.52 147.42 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -35.16 130.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -125.79 132.0 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -108.29 111.75 23.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.539 HG23 HG21 ' A' ' 69' ' ' VAL . 15.8 tt -132.55 152.76 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -74.5 162.23 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' HG12 ' A' ' 96' ' ' VAL . 2.5 tm-20 -73.18 148.68 43.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.57 42.22 93.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -140.98 165.98 26.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.4 ttt -81.77 128.35 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' C ' ' CD ' ' A' ' 26' ' ' GLU . . . -124.23 162.57 23.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 25' ' ' ALA . 24.3 mp0 -154.43 148.84 26.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 5.7 mt -114.14 118.92 35.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -64.25 112.32 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 t -156.04 126.39 6.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -125.31 126.93 45.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.1 p -121.67 148.73 51.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 111.122 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.15 17.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.38 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 148.75 65.54 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mtm 65.14 36.79 7.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 83' ' ' ASN . 28.2 p -122.51 155.48 36.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.11 130.73 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.8 t -112.5 127.05 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -149.15 157.77 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.788 ' CD2' HD22 ' A' ' 64' ' ' LEU . 75.2 m95 -139.18 123.1 17.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.2 tt -96.59 136.57 36.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.675 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.4 mm? -91.94 151.73 42.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.15 2.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 41' ' ' LEU . 2.6 p30 -96.05 -37.12 10.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.05 50.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 46' ' ' VAL . 4.2 m -156.27 171.43 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.634 ' H ' HG22 ' A' ' 45' ' ' THR . 98.3 t -148.3 139.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.107 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD12 HG21 ' A' ' 56' ' ' ILE . 92.7 mt -112.56 162.02 16.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 p -154.12 169.4 23.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -39.85 -36.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.0 66.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.6 m -40.36 161.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.45 24.15 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -50.3 131.94 24.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.53 0.681 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -51.62 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 79.5 mtm-85 -73.08 -67.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.697 ' CG2' HD11 ' A' ' 64' ' ' LEU . 45.2 mt -69.59 99.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t -108.87 124.1 50.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.68 106.91 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.7 137.74 42.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -38.05 -52.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -43.5 18.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.16 38.01 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 27' ' ' LEU . 68.9 m -117.31 140.33 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.3 tp -96.64 109.76 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -97.89 150.28 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 56' ' ' ILE . 9.6 m-85 -131.02 118.24 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -57.33 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 55' ' ' ARG . 34.8 p-80 -156.08 106.32 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG21 HG23 ' A' ' 19' ' ' ILE . 27.4 m -71.17 139.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -115.82 160.57 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' HB2' ' A' ' 98' ' ' SER . 91.0 mt -53.27 -35.16 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -70.66 -31.99 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -62.43 -21.15 65.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.9 m -52.44 127.65 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.06 -137.97 4.92 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.08 132.95 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -111.17 128.45 55.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 m -109.62 115.21 29.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 42.8 t -89.73 133.21 34.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 27.4 mtt -105.19 143.6 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.704 HG12 HD21 ' A' ' 83' ' ' ASN . 53.9 t -137.78 120.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.6 m -123.54 130.47 52.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.704 HD21 HG12 ' A' ' 81' ' ' VAL . 2.2 m-80 -135.41 170.73 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.61 -35.56 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.49 -48.17 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.551 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -162.54 -176.24 34.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -140.43 151.46 44.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -150.75 177.92 9.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -157.32 163.61 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -138.68 173.74 11.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -138.75 160.34 39.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -170.38 129.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -90.85 127.45 36.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.3 tp -104.76 120.22 40.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -101.59 127.53 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 21' ' ' GLU . 90.7 t -118.03 114.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.4 m -95.02 147.67 23.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.547 ' HB2' HD21 ' A' ' 71' ' ' LEU . 7.3 t -99.18 155.83 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.05 -178.87 47.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.86 16.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 m -128.57 168.17 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.2 t -92.33 -57.24 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -122.77 84.84 2.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.02 125.59 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.93 -127.26 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 p -70.91 87.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -115.15 171.12 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 155.7 23.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -178.51 2.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -85.85 41.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' MET . 83.9 mt -120.18 87.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' ILE . 10.1 mmt -36.62 -44.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -142.02 122.59 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.87 148.41 34.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.582 0.706 . . . . 0.0 111.077 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.7 Cg_endo -69.72 157.0 62.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -135.04 151.71 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.96 135.84 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 tp -129.84 136.79 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -115.28 111.22 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 HG21 ' A' ' 69' ' ' VAL . 5.9 tt -133.7 152.57 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.4 m -75.02 163.78 27.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' A' ' 96' ' ' VAL . 11.4 tt0 -74.09 133.01 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.69 38.72 11.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -136.71 168.07 20.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.421 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.2 ttt -85.87 134.79 33.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.23 166.04 22.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -154.94 145.07 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.777 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 15.6 mt -113.2 110.85 21.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -58.87 119.65 7.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' C ' ' A' ' 62' ' ' GLY . 1.4 p -154.42 128.76 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -125.41 125.21 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.8 p -124.05 152.92 67.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.95 40.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.2 mtm 53.79 38.49 28.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.1 m -132.53 159.22 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.7 t -106.07 144.65 32.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.67 122.75 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HD2' HG11 ' A' ' 46' ' ' VAL . 23.0 mtmt -134.92 141.53 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.777 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 64.6 m95 -120.4 135.61 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 41' ' ' LEU . 7.4 tt -104.59 147.77 27.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -104.9 152.28 39.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.728 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.21 -28.59 13.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.3 57.65 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 46' ' ' VAL . 22.1 m -163.99 167.53 20.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.61 ' N ' HG22 ' A' ' 45' ' ' THR . 24.3 t -143.73 143.0 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 56' ' ' ILE . 96.8 mt -112.95 167.41 10.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 50' ' ' ALA . 34.4 t -157.43 159.26 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . 73.6 m-70 -35.18 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -66.48 -51.32 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.5 t -39.54 158.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' HIS . 7.8 ttt180 -121.03 5.43 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' ARG . 18.7 t-80 -35.01 129.61 0.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.825 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.95 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 7.6 mtm105 -69.91 -68.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 47' ' ' LEU . 13.9 mt -70.05 112.72 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -122.85 122.34 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -84.61 87.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 mt -43.01 148.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -40.71 -54.92 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.29 -32.3 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' SG ' ' A' ' 29' ' ' CYS . . . 129.55 -11.25 6.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -57.54 142.21 45.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 39' ' ' TRP . 11.2 tp -98.37 101.51 12.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -93.39 136.33 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -114.08 110.12 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 t -50.92 -36.63 39.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 55.4 p-80 -170.28 105.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 19' ' ' ILE . 27.1 m -66.96 164.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mt -143.13 160.23 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 mt -57.67 -25.15 59.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -81.45 -18.5 45.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.24 -15.19 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -55.16 128.32 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.2 -134.26 3.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.3 t -135.64 132.53 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -111.82 128.63 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 90' ' ' ALA . 31.6 m -107.48 134.8 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.3 t -101.15 144.05 30.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.596 ' CE ' HG21 ' A' ' 46' ' ' VAL . 5.8 mtt -119.53 139.97 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.01 111.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 m -110.46 118.36 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.715 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 4.3 t-20 -138.37 146.83 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.2 p -47.84 -41.91 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.715 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . . . -63.98 -51.77 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.7 162.26 34.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -105.19 158.39 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.2 p -160.99 167.41 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -152.44 166.44 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 78' ' ' THR . . . -143.8 172.51 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -140.48 160.74 39.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -169.5 148.78 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -105.01 146.6 28.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.18 112.01 14.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -94.82 123.54 38.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 21' ' ' GLU . 39.4 t -117.09 119.53 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 7.7 t -100.91 152.73 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.28 28.55 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -42.74 160.93 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.7 23.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -131.13 176.81 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 t -117.06 -42.9 2.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -151.33 119.16 6.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -81.6 159.29 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.797 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.54 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -53.49 143.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 48.78 41.26 17.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.55 146.1 20.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.44 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -73.74 -33.39 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -60.06 105.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 mtt -53.53 -41.71 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.483 ' CB ' ' HD3' ' A' ' 30' ' ' ARG . 2.0 t70 -130.09 120.91 25.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.18 143.35 28.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.711 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.8 Cg_endo -69.76 155.39 66.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -135.3 146.61 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.17 131.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -125.38 138.53 54.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -111.57 109.85 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 23' ' ' ARG . 10.8 tt -132.06 154.51 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.8 m -84.08 169.22 15.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.23 132.0 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 36.03 14.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 19' ' ' ILE . 23.0 mtt-85 -132.32 166.69 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 ttt -91.08 125.02 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.74 171.02 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -159.15 142.33 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 5.5 mt -106.95 109.9 21.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -54.77 109.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.2 t -153.29 127.71 9.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' CB ' ' A' ' 12' ' ' ASP . 2.9 mpt_? -127.11 124.56 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -123.3 148.43 55.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 170.08 17.3 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.424 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 152.57 69.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 24.3 mtp 64.07 37.72 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 p -125.9 154.81 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.2 t -96.26 121.03 37.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.8 126.68 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HD3' HG11 ' A' ' 46' ' ' VAL . 22.6 mttp -140.52 157.06 46.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CD2' HD22 ' A' ' 64' ' ' LEU . 69.2 m95 -141.98 122.23 13.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 41' ' ' LEU . 6.1 tt -94.11 147.73 22.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm? -105.88 152.74 40.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.713 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -99.59 -36.52 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.62 57.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 46' ' ' VAL . 9.1 m -163.5 162.78 24.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 40' ' ' LEU . 75.6 t -141.84 133.92 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.89 HD22 ' OG ' ' A' ' 51' ' ' SER . 58.5 mt -110.39 173.33 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.6 p -154.28 175.46 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -48.54 -28.18 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -73.31 -51.44 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.89 ' OG ' HD22 ' A' ' 47' ' ' LEU . 10.5 t -34.46 136.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -100.43 19.13 17.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -52.08 130.53 40.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -51.46 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HG3' ' CE1' ' A' ' 68' ' ' HIS . 16.8 mtp180 -71.89 -67.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.657 ' CG2' HD11 ' A' ' 64' ' ' LEU . 36.0 mt -71.21 98.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 p -113.08 123.38 50.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.4 t -90.47 94.65 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.3 148.54 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.17 -64.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -41.32 -36.59 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.93 48.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.0 m -121.79 141.57 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' A' ' 56' ' ' ILE . 12.0 tp -100.27 105.2 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 31.1 t-20 -99.7 151.44 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 56' ' ' ILE . 18.5 m-85 -128.93 102.33 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 t -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' CE1' ' HG3' ' A' ' 55' ' ' ARG . 42.6 p-80 -156.99 108.35 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 19' ' ' ILE . 34.4 m -83.53 141.5 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.865 ' C ' HG11 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -111.07 170.26 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 96' ' ' VAL . 28.4 mt -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -74.06 -32.52 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 7.1 m-20 -65.7 -18.77 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.4 m -51.74 127.38 20.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.39 -142.08 7.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.21 133.17 66.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' HD12 ' A' ' 41' ' ' LEU . 8.2 m-85 -112.83 144.25 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 96.8 m -127.54 125.83 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.503 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.0 t -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 46' ' ' VAL . 11.0 mtm -110.48 139.26 45.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.94 110.9 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 83' ' ' ASN . 24.0 m -114.17 118.44 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 82' ' ' THR . 1.8 m-20 -133.37 144.82 49.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.92 -38.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.61 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -163.21 170.45 38.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.76 131.7 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.409 ' C ' ' OD1' ' A' ' 89' ' ' ASN . 94.1 p -133.01 162.89 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 88' ' ' SER . 0.6 OUTLIER -154.08 144.34 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 78' ' ' THR . . . -122.88 176.06 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 m -142.58 158.39 43.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.65 135.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -92.81 138.82 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tp -118.9 135.33 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -112.52 140.97 46.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.865 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.2 t -135.15 110.43 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -111.53 133.02 54.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.565 ' N ' HD21 ' A' ' 71' ' ' LEU . 48.0 p -46.84 158.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.86 173.7 19.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.47 23.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -99.36 -59.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 m -59.59 126.2 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -132.54 81.9 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -103.57 161.72 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.05 -132.65 39.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -149.25 115.65 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -137.14 115.09 11.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.07 -158.15 8.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.5 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 25.3 m-85 -66.73 -29.32 69.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 81' ' ' VAL . 79.1 mt -72.32 97.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 mmt -52.41 -44.15 65.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -134.41 134.52 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.45 144.03 27.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 54.4 Cg_endo -69.7 133.77 26.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.394 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -115.7 153.58 31.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.04 144.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -140.36 131.39 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -108.57 107.0 17.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 25' ' ' ALA . 9.2 tt -127.92 161.89 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -89.42 168.65 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -74.55 138.48 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.67 38.45 43.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -135.38 164.74 27.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.6 ttt -82.63 131.32 35.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.85 157.57 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -150.93 146.7 26.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 10.7 mt -110.2 130.99 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -70.18 104.02 2.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.9 t -157.01 125.7 5.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -128.81 133.84 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.15 152.08 75.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.02 17.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 155.12 67.04 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 17.4 mtt 54.51 41.22 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.2 p -125.07 141.35 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -85.75 113.61 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.49 139.39 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -140.0 167.56 21.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.721 ' CD2' HD22 ' A' ' 64' ' ' LEU . 63.0 m95 -139.89 115.23 9.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.2 tt -90.27 148.1 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -111.17 152.41 43.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 3.63 2.64 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.84 -8.27 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.8 61.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' HD23 ' A' ' 41' ' ' LEU . 5.2 m -166.24 163.21 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.603 HG11 ' CE ' ' A' ' 80' ' ' MET . 92.6 t -146.46 130.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 56' ' ' ILE . 24.9 mt -105.58 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -156.31 179.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -54.75 -14.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -81.3 -67.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.2 m -35.06 139.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 1.1 tmt_? -106.11 49.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.15 130.19 89.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.546 ' CG ' ' CE1' ' A' ' 68' ' ' HIS . 6.8 mtp-105 -71.15 -68.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 47' ' ' LEU . 62.7 mt -71.76 98.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -107.21 124.22 49.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 64' ' ' LEU . 91.3 t -97.16 102.68 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.2 142.05 57.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -48.16 -33.95 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.86 5.79 3.43 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' LEU . 6.8 m -88.66 142.67 27.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' CD2' ' A' ' 39' ' ' TRP . 14.4 tp -103.36 111.3 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 29.8 t-20 -97.07 151.08 20.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 67' ' ' SER . 21.7 m-85 -131.07 92.1 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 66' ' ' PHE . 24.8 t -34.41 -46.56 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CE1' ' CG ' ' A' ' 55' ' ' ARG . 42.3 p-80 -160.43 106.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 19' ' ' ILE . 22.1 m -68.6 161.16 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.67 158.33 42.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 98' ' ' SER . 32.6 mt -56.88 -22.58 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.5 m -87.86 -14.13 40.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -80.06 -19.64 47.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.6 m -52.53 129.13 28.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 165.62 -139.76 5.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.58 133.38 65.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 41' ' ' LEU . 5.7 m-85 -115.42 118.78 34.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -101.18 122.46 43.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.25 125.78 37.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.603 ' CE ' HG11 ' A' ' 46' ' ' VAL . 9.7 mtm -100.59 143.0 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 10' ' ' ILE . 43.4 t -136.97 114.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.2 m -120.69 128.99 53.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -140.44 172.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.7 p -86.16 -13.32 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 9' ' ' PHE . . . -100.9 -22.69 14.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . 179.39 -173.96 45.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -142.55 163.0 34.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -165.93 166.57 17.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -153.42 154.63 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -144.46 168.05 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.6 m -144.74 161.76 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -168.83 153.85 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 61.8 t80 -104.99 153.81 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.03 107.69 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -89.05 128.21 35.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.78 115.65 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.9 t -111.51 133.1 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 71' ' ' LEU . 31.1 t -49.8 130.46 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.19 158.1 17.61 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -2.13 9.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.3 p -44.69 143.09 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 t -74.47 144.91 43.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t -90.84 -50.87 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -79.74 137.79 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.66 44.25 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.9 p -137.94 116.55 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -49.98 -50.91 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.99 90.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -87.86 40.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 ' CD1' HG21 ' A' ' 81' ' ' VAL . 5.5 mm -116.34 83.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 9.3 mmt -38.43 -45.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 30' ' ' ARG . 1.7 m-20 -142.81 109.77 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.44 147.13 43.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 90' ' ' ALA . 53.9 Cg_endo -69.74 158.59 56.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.6 ttt180 -134.6 147.45 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -38.1 147.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.6 tp -142.27 144.76 33.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -116.66 109.61 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.789 HD13 ' HB2' ' A' ' 25' ' ' ALA . 10.7 tt -129.45 162.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.5 m -92.18 159.65 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -69.22 120.73 15.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 35.92 5.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -134.09 168.41 18.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 ttt -88.06 126.5 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.32 151.36 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -143.94 145.18 32.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 63' ' ' THR . 31.1 mt -107.15 116.1 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -65.78 109.95 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 t -147.17 125.12 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -115.95 123.71 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.5 p -116.78 145.05 34.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.03 17.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 149.96 67.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.4 mtt 63.82 37.65 9.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -128.19 145.45 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -91.32 131.92 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.4 t -100.23 126.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -138.38 146.51 42.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 74.2 m95 -132.68 112.66 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 41' ' ' LEU . 5.7 tt -93.42 130.15 39.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.72 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -85.37 152.32 57.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.2 2.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -92.83 -24.15 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.23 3.86 7.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 46' ' ' VAL . 1.3 m -110.5 177.08 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.732 ' H ' HG22 ' A' ' 45' ' ' THR . 6.3 p -158.43 133.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG21 ' A' ' 56' ' ' ILE . 25.1 mt -111.5 173.28 6.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 p -148.23 -178.34 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.03 -20.78 59.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -79.16 -51.7 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' ALA . 50.1 m -34.59 147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -109.95 31.85 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -62.93 130.92 94.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -51.42 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -72.55 -67.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 47' ' ' LEU . 66.7 mt -70.81 97.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -107.66 130.03 54.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 64' ' ' LEU . 93.3 t -103.19 97.91 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.05 161.22 16.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' ASP . 76.1 m-20 -53.26 -68.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -35.87 -38.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.65 39.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 27' ' ' LEU . 89.1 m -110.24 138.59 46.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.35 . . . . 0.0 111.155 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.6 tp -98.07 107.44 19.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -94.43 151.43 19.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 45.7 m-85 -134.42 91.89 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 33.4 t -36.91 -49.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 55' ' ' ARG . 43.7 p-80 -151.6 109.06 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 19' ' ' ILE . 15.3 m -74.06 156.25 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' C ' HG11 ' A' ' 96' ' ' VAL . 6.5 mt -130.49 158.56 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.16 -34.3 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.3 m -72.1 -26.96 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD2' ' NH2' ' A' ' 55' ' ' ARG . 8.9 m-20 -64.96 -19.95 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -55.98 128.06 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 93' ' ' TYR . . . 162.11 -144.83 10.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' HD1' ' A' ' 93' ' ' TYR . 57.4 t -128.19 133.05 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.22 131.26 55.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 m -111.97 110.34 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.0 t -89.02 124.24 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 mtt -94.6 141.38 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.719 HG21 ' CD1' ' A' ' 10' ' ' ILE . 92.2 t -133.65 117.47 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 HG23 ' ND2' ' A' ' 87' ' ' ASN . 26.2 m -114.96 120.73 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' VAL . 26.3 t-20 -132.55 132.23 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 85' ' ' ALA . 7.4 p -35.19 -45.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -62.71 -56.8 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.69 174.14 33.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' HG23 ' A' ' 82' ' ' THR . 1.4 m-20 -120.76 139.3 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -147.39 175.42 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -157.22 155.8 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 14' ' ' PRO . . . -130.62 161.32 31.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -133.2 163.72 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.08 153.15 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 75' ' ' GLY . 60.4 t80 -106.6 153.2 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 tp -135.92 115.97 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 96' ' ' VAL . 43.1 t-20 -96.59 131.8 42.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG11 ' C ' ' A' ' 70' ' ' LEU . 44.4 t -125.86 127.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -124.15 130.57 52.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -55.8 141.87 37.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.16 171.37 53.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -39.53 6.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t -100.65 138.73 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -115.66 131.24 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.7 t -153.27 130.72 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.81 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.8 m -34.81 -47.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.36 149.69 6.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -96.35 -55.38 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -105.27 167.05 9.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.04 -159.54 26.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -99.88 38.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 12' ' ' ASP . 31.6 mt -125.96 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ILE . 20.2 mmt -36.72 -37.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.5 t70 -144.86 128.73 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 143.54 26.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 54.0 Cg_endo -69.73 151.28 69.19 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -131.24 170.63 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.98 137.28 55.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.24 138.23 46.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.5 112.81 22.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 25' ' ' ALA . 11.2 tt -133.51 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.411 ' N ' ' CG1' ' A' ' 19' ' ' ILE . 8.1 t -85.52 169.27 13.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.32 141.18 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 30.83 62.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CB ' HD11 ' A' ' 19' ' ' ILE . 53.8 mtt-85 -125.51 171.98 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 ttt -92.46 128.78 38.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.16 163.76 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -157.29 148.31 21.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.961 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 16.8 mt -111.38 110.13 20.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.07 98.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.9 t -148.16 125.15 11.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -122.63 137.44 54.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 p -127.11 153.02 76.65 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.06 17.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 145.29 56.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 55.3 mtm 61.85 44.33 8.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -124.17 145.92 49.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 m -90.14 97.37 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -95.64 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -142.56 177.59 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.961 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 76.0 m95 -149.25 121.29 8.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HA ' HG22 ' A' ' 46' ' ' VAL . 4.4 tt -92.88 147.46 22.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.581 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -110.55 152.81 43.61 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 4.13 2.37 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.728 2.285 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 23.4 p-10 -97.36 -18.12 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 107.78 35.82 2.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.604 HG22 ' N ' ' A' ' 46' ' ' VAL . 17.3 m -141.89 167.9 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.14 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.604 ' N ' HG22 ' A' ' 45' ' ' THR . 86.3 t -144.69 137.03 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD12 HG21 ' A' ' 56' ' ' ILE . 71.5 mt -111.71 170.24 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -153.73 -176.65 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -60.42 -10.29 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.19 -51.09 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 47' ' ' LEU . 60.3 m -39.17 143.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -104.22 26.48 8.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -59.27 130.39 87.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -51.58 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 9.4 mtp180 -71.43 -67.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 47' ' ' LEU . 28.9 mt -70.64 102.2 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 120.89 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.9 95.45 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 59' ' ' LEU . 6.9 mp -55.74 142.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -40.42 -52.84 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.45 -36.11 31.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 123.3 25.41 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 64' ' ' LEU . 89.2 m -98.39 156.75 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.9 tp -114.58 101.74 9.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -92.8 152.41 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 4.8 m-85 -133.42 91.08 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' PHE . 1.2 t -35.51 -47.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 31.8 p-80 -154.55 109.04 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.3 157.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 mt -131.54 161.86 31.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 96' ' ' VAL . 47.2 mt -57.49 -21.06 35.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -82.68 -14.85 53.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -85.01 -12.32 53.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.3 m -59.49 131.82 52.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 -137.33 4.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' HD2' ' A' ' 93' ' ' TYR . 76.6 t -131.48 132.29 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -111.06 141.39 44.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.9 m -128.16 114.64 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.69 126.39 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.1 mtm -101.11 142.06 33.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.2 t -134.54 117.76 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -131.74 117.04 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 14.2 p-10 -141.89 149.58 40.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.63 -30.52 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.51 82.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -177.0 -156.95 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -143.13 145.62 33.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.9 m -166.28 159.46 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -154.16 153.42 31.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -133.79 169.68 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.0 m -140.47 165.76 26.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.27 140.35 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.438 ' HD2' HG22 ' A' ' 76' ' ' VAL . 44.2 t80 -92.81 144.11 25.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.15 124.06 41.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -104.75 128.78 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 ' C ' ' A' ' 70' ' ' LEU . 47.9 t -121.91 121.78 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -118.9 137.16 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -62.59 144.42 56.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.97 177.82 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 137.17 34.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 t -83.97 -63.07 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.1 t -51.09 143.31 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.19 148.28 28.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 43.86 41.34 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.78 -177.95 35.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -165.07 179.42 6.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -169.42 178.38 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 -95.67 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -174.4 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 86' ' ' GLY . 8.2 m-85 -106.95 3.99 26.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 30' ' ' ARG . 28.3 mt -89.69 137.31 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.541 ' CB ' ' NE ' ' A' ' 30' ' ' ARG . 36.5 mtt -90.7 -33.34 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 4.8 t70 -133.09 108.73 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.63 141.08 29.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 153.87 68.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -133.56 152.86 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -39.68 128.98 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.9 153.08 41.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -133.84 111.27 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 25' ' ' ALA . 16.2 tt -132.52 151.76 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 m -68.52 169.64 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' HG12 ' A' ' 96' ' ' VAL . 12.7 tt0 -83.73 130.08 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.36 27.23 25.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -126.95 166.24 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ttt -80.39 123.8 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 19' ' ' ILE . . . -119.93 156.56 30.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -148.63 143.25 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 63' ' ' THR . 7.2 mt -106.9 112.52 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -58.5 99.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.1 t -151.53 125.16 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 11' ' ' MET . 21.2 ptt180 -132.44 137.37 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -127.71 156.54 75.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.06 17.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.295 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 155.74 65.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mtt 55.75 53.01 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p -141.16 146.37 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.7 138.12 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -143.74 175.37 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 66.9 m95 -143.58 124.42 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.5 tt -99.92 126.56 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.733 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -84.6 151.68 59.0 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.96 3.03 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.79 2.3 38.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.59 58.47 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 46' ' ' VAL . 89.1 m -159.06 165.85 32.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.189 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 45' ' ' THR . 17.5 t -146.78 137.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 56' ' ' ILE . 69.7 mt -118.99 164.55 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -155.06 -178.75 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -55.2 -18.73 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.76 -62.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -47.91 135.09 12.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -98.22 32.89 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 54.3 t-80 -50.91 137.93 25.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.78 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' CD ' ' CE1' ' A' ' 68' ' ' HIS . 34.9 mtm-85 -40.19 -62.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 47' ' ' LEU . 48.2 mt -74.44 113.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -129.29 120.86 26.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 HG22 ' CD1' ' A' ' 64' ' ' LEU . 48.6 t -88.64 101.42 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.24 149.91 44.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -40.3 -54.76 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 -40.94 59.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.48 -3.2 5.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 27' ' ' LEU . 73.5 m -70.12 139.0 52.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 39' ' ' TRP . 9.3 tp -102.23 113.59 27.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 21.5 t-20 -99.56 156.0 17.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 3.6 m-85 -136.7 107.47 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -45.0 -52.78 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 48.5 p-80 -153.54 105.82 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG21 HG23 ' A' ' 19' ' ' ILE . 15.5 m -65.91 158.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -131.08 154.58 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD23 HG12 ' A' ' 96' ' ' VAL . 31.8 mt -52.91 -19.66 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.8 p -87.53 -25.77 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -68.9 -17.71 64.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -55.5 121.99 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.67 -155.68 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.9 t -110.59 133.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -114.34 135.28 54.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.2 m -120.17 131.35 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 20.5 t -105.54 114.02 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.411 ' CE ' HG21 ' A' ' 46' ' ' VAL . 4.1 mtm -91.62 145.52 24.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 10' ' ' ILE . 21.1 t -138.16 117.62 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.9 m -123.57 118.54 27.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -130.43 134.23 46.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 p -41.03 -27.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.7 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 9' ' ' PHE . . . -151.54 -173.27 21.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -138.21 160.63 38.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -167.2 166.92 14.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -153.68 162.42 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.16 160.47 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -133.7 152.9 52.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -167.19 138.41 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -94.39 162.6 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -143.1 109.55 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -91.23 127.69 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 71' ' ' LEU . 47.3 t -119.38 113.02 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 t -106.67 138.63 42.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 p -59.04 171.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.23 159.06 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -44.47 2.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.712 2.274 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 t -103.38 151.85 22.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -107.17 109.29 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -117.12 125.47 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -63.69 -53.22 54.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.92 -105.57 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.38 130.07 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -174.96 122.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.69 142.45 15.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.73 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 21.0 m-85 -66.56 -32.12 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 12' ' ' ASP . 17.7 mt -69.47 94.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.9 mtm -47.97 -31.87 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 3.1 m-20 -140.93 121.89 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.49 143.64 26.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.623 2.215 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -141.32 146.26 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 15' ' ' ARG . 2.5 p30 -42.39 128.89 3.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.83 146.6 47.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -119.76 106.78 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 25' ' ' ALA . 12.3 tt -129.77 160.01 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -87.36 159.17 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HG12 ' A' ' 96' ' ' VAL . 15.6 tt0 -68.76 133.5 48.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.13 35.86 10.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -137.01 168.2 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 ttt -90.28 128.48 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -130.51 164.47 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.41 151.64 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 4.4 mt -112.91 110.63 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.44 104.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 t -150.26 125.82 10.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 16.6 mmm-85 -124.52 132.91 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.6 p -128.07 149.89 72.25 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.629 0.728 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HG2' ' ND2' ' A' ' 83' ' ' ASN . 54.2 Cg_endo -69.71 169.94 17.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.43 56.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.51 40.12 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -122.78 144.08 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.78 112.71 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 p -113.96 124.53 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -127.43 176.35 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CD1' HD13 ' A' ' 64' ' ' LEU . 74.8 m95 -146.24 105.74 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 41' ' ' LEU . 5.1 tt -81.77 142.37 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.731 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 mm? -98.43 152.69 38.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.61 2.68 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.673 2.249 . . . . 0.0 112.367 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 45' ' ' THR . 2.2 p-10 -102.11 -13.32 17.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.87 -36.21 3.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' N ' ' A' ' 46' ' ' VAL . 19.2 m -71.16 167.96 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 45' ' ' THR . 7.1 p -152.87 134.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -108.33 178.1 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 p -162.2 -176.7 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -54.25 -26.5 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -70.2 -64.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' ALA . 1.5 m -34.49 151.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -113.96 32.43 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -53.96 131.37 58.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 16.8 mtm105 -73.4 -66.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.539 ' CG2' HD11 ' A' ' 64' ' ' LEU . 69.6 mt -72.17 92.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -101.75 122.74 44.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.19 94.2 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 59' ' ' LEU . 7.3 mp -56.7 151.74 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -54.09 -41.53 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.92 -16.52 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.24 16.32 18.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 m -90.28 151.35 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.146 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.748 HD13 ' CD1' ' A' ' 39' ' ' TRP . 11.7 tp -113.19 102.46 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -92.05 149.07 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' HZ ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -129.25 107.82 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.9 m -47.36 -53.28 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -153.73 105.0 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.89 156.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.33 159.49 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.4 mt -55.33 -18.75 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -87.57 -20.05 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.3 m -54.56 127.29 27.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 -153.6 23.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -111.42 134.75 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -116.39 120.34 38.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 90' ' ' ALA . 33.5 m -107.4 129.16 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.0 t -100.74 128.38 46.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.583 ' HE2' HD12 ' A' ' 40' ' ' LEU . 19.1 mtt -96.63 142.21 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG21 HG12 ' A' ' 10' ' ' ILE . 93.4 t -138.34 111.46 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 m -126.84 112.14 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' ND2' ' HG2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -119.96 169.73 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.68 -26.15 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -84.28 -52.99 5.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.92 179.47 30.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.79 160.34 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 p -168.71 170.69 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -157.72 161.73 38.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 78' ' ' THR . . . -141.4 175.01 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -146.41 161.12 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -171.55 132.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -92.93 138.2 31.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 tp -116.09 123.46 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.77 128.9 47.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 21' ' ' GLU . 12.4 t -127.63 122.04 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 t -123.26 141.99 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.0 p -59.57 165.08 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 154.77 25.17 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 95.11 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -60.42 -45.28 94.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -71.07 136.27 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -91.64 130.14 37.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -78.31 -58.56 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 142.51 3.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -77.37 -55.35 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -91.39 -56.7 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.85 -149.7 17.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -171.39 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -66.76 -41.12 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.881 HG12 HG21 ' A' ' 81' ' ' VAL . 71.5 mt -46.87 94.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.0 mmt -48.23 -52.95 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.91 140.3 51.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.78 143.87 30.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' CB ' ' A' ' 90' ' ' ALA . 53.4 Cg_endo -69.73 145.1 56.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -122.77 152.83 40.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -43.4 139.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.17 150.77 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -129.94 109.07 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 69' ' ' VAL . 7.8 tt -131.8 155.03 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.4 m -84.83 157.33 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -64.65 134.0 53.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.92 38.93 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -139.69 165.44 27.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.1 ttt -83.32 134.25 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 66' ' ' PHE . . . -129.56 161.37 30.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -158.46 140.62 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.703 ' O ' HG23 ' A' ' 63' ' ' THR . 8.3 mt -108.35 126.87 53.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -75.17 115.55 14.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 38.6 t -158.35 125.73 5.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -112.84 138.07 50.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' VAL . 11.8 p -126.69 146.64 57.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 170.05 17.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.39 69.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.3 mtp 56.01 38.67 30.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 p -126.8 142.63 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 t -82.54 132.04 35.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 HG21 ' A' ' 31' ' ' THR . 91.7 t -108.59 120.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -135.11 159.84 40.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 62.7 m95 -139.58 110.59 6.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 78' ' ' THR . 3.2 tp -80.05 141.71 35.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.657 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -99.18 153.22 37.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.53 2.13 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.29 -1.59 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.82 -38.43 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.687 HG22 ' H ' ' A' ' 46' ' ' VAL . 2.7 m -68.39 173.23 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.687 ' H ' HG22 ' A' ' 45' ' ' THR . 7.2 p -154.07 134.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 51' ' ' SER . 81.7 mt -106.11 -177.02 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.7 p -175.01 -175.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -58.19 -14.11 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -84.73 -57.93 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' HD22 ' A' ' 47' ' ' LEU . 19.6 p -37.85 143.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -106.08 25.38 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -52.41 130.27 43.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.558 0.694 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -71.42 -68.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' CE2' ' A' ' 66' ' ' PHE . 52.8 mt -72.11 96.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -104.66 139.0 40.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.66 90.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 63' ' ' THR . 24.4 mt -57.58 142.43 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -38.15 -61.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -38.56 -41.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.67 45.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.9 m -119.77 135.32 54.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.158 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 56' ' ' ILE . 11.2 tp -92.4 105.52 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 19.6 t-20 -95.64 151.0 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 56' ' ' ILE . 3.3 m-85 -134.68 106.7 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.7 m -47.97 -55.23 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -148.08 105.1 3.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.654 HG21 HG23 ' A' ' 19' ' ' ILE . 35.8 m -68.63 145.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' C ' HG11 ' A' ' 96' ' ' VAL . 4.4 mt -120.56 165.16 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' N ' ' A' ' 98' ' ' SER . 82.5 mt -61.1 -16.72 47.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 m -89.02 -19.76 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.77 -17.53 59.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.3 m -56.58 128.54 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.13 -143.79 8.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 92' ' ' ALA . 97.9 t -129.97 131.47 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.33 137.08 47.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 40' ' ' LEU . 31.9 m -119.05 112.17 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.23 134.14 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 40' ' ' LEU . 8.3 mtt -109.66 149.62 29.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.881 HG21 HG12 ' A' ' 10' ' ' ILE . 93.6 t -138.04 114.29 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -107.57 123.97 49.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -140.41 141.17 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 84' ' ' VAL . 3.5 p -56.95 -17.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.25 -39.37 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.53 175.29 43.79 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -125.69 147.39 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.2 m -158.01 163.19 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -155.69 158.83 38.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . . . -130.69 172.5 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.3 m -139.52 165.96 25.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -173.34 163.33 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HD2' HG22 ' A' ' 76' ' ' VAL . 36.3 t80 -121.61 137.62 54.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 tp -120.46 117.91 28.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -97.51 133.28 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.522 HG11 ' C ' ' A' ' 70' ' ' LEU . 48.5 t -125.93 111.59 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.5 t -101.07 125.86 47.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.523 ' N ' HD21 ' A' ' 71' ' ' LEU . 6.4 t -45.81 147.82 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.46 158.69 14.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.89 11.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.383 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -104.95 157.53 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -94.32 153.59 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -93.43 114.89 27.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -68.32 167.82 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.15 57.54 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -104.49 95.23 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -79.63 74.83 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.55 82.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 85' ' ' ALA . 48.7 m-85 -67.3 -27.99 67.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.63 HG12 HG21 ' A' ' 81' ' ' VAL . 62.2 mt -66.63 86.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.6 mmt -44.31 -33.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -144.66 115.98 8.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.38 143.75 28.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 155.34 66.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.386 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASP . 14.0 ttp85 -133.87 143.57 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' ARG . 22.9 p-10 -34.52 136.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.5 130.83 42.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 8.9 p-10 -106.87 108.37 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 19.6 tt -129.25 153.29 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.3 m -78.7 162.68 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 6.9 tm-20 -70.55 147.82 48.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.39 32.03 74.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -128.8 169.14 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.419 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 4.5 ttt -90.47 129.3 36.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -127.8 159.74 33.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -151.4 142.38 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD13 ' CZ3' ' A' ' 39' ' ' TRP . 11.5 mt -107.65 116.95 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -70.39 108.4 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 t -148.13 125.18 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.479 ' CG ' ' HB2' ' A' ' 12' ' ' ASP . 7.0 mmt85 -110.17 137.33 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.558 HG21 HG22 ' A' ' 37' ' ' VAL . 11.0 p -127.62 152.14 76.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.78 23.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.392 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 143.46 50.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.4 mtm 61.11 41.77 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 p -122.67 156.23 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -92.35 130.13 38.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 31' ' ' THR . 89.5 t -112.13 128.63 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -145.38 162.11 38.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.857 ' CZ3' HD13 ' A' ' 27' ' ' LEU . 75.7 m95 -140.87 122.1 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 41' ' ' LEU . 9.1 tt -92.41 140.96 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -100.68 153.1 37.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.3 2.26 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.97 -14.72 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 60.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 46' ' ' VAL . 5.4 m -166.31 170.38 13.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 0.0 111.14 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' H ' HG22 ' A' ' 45' ' ' THR . 36.3 t -147.29 141.42 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 56' ' ' ILE . 93.4 mt -114.15 175.93 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -161.4 167.86 24.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -43.77 -28.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -72.35 -52.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB2' HD22 ' A' ' 47' ' ' LEU . 9.7 p -34.43 144.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -106.97 17.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -51.54 130.3 35.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.65 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 13.2 mtm105 -70.91 -68.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.721 ' CG2' HD11 ' A' ' 64' ' ' LEU . 18.4 mt -71.53 101.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.9 m -112.45 118.11 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.71 99.82 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 63' ' ' THR . 26.2 mt -68.45 144.18 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -42.95 -62.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' ASN . 0.6 OUTLIER -36.63 -41.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.72 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 27' ' ' LEU . 65.4 m -122.19 142.72 50.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 111.146 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD11 ' CG2' ' A' ' 56' ' ' ILE . 14.1 tp -99.14 105.49 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -95.09 150.33 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.434 ' CE1' ' HG ' ' A' ' 64' ' ' LEU . 2.6 m-85 -131.2 106.01 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 t -46.83 -54.53 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 56.8 p-80 -150.98 106.29 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 19' ' ' ILE . 35.7 m -71.54 158.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.28 164.82 26.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.18 -18.29 60.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 m -88.28 -10.68 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -88.03 -13.87 40.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.4 m -56.15 130.75 45.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.0 -132.72 2.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG22 ' HD2' ' A' ' 93' ' ' TYR . 61.7 t -137.67 132.16 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE2' HD12 ' A' ' 41' ' ' LEU . 45.2 m-85 -110.99 113.85 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.8 m -97.24 117.38 31.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HB2' ' CH2' ' A' ' 39' ' ' TRP . 53.3 t -87.54 132.0 34.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.77 142.68 35.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 10' ' ' ILE . 82.3 t -136.81 110.08 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -118.83 131.31 56.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -141.6 177.03 8.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 84' ' ' VAL . 1.6 p -82.33 -15.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . . . -94.21 -40.85 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.31 -176.13 37.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -137.65 150.69 47.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -155.25 174.17 15.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -154.69 163.82 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.98 157.51 41.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.7 m -124.71 167.4 14.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.71 126.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.504 ' HD2' HG22 ' A' ' 76' ' ' VAL . 41.7 t80 -89.82 138.76 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.9 tp -120.59 112.65 19.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -94.97 125.94 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.28 118.01 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.9 t -113.72 130.12 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -48.33 144.14 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.27 170.98 18.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -23.99 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -50.56 134.64 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.2 m -124.67 105.99 9.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 stop_ save_